In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2010 | 27 | Yes |
Popular Name: (3S)-3-cyclopropyl-N-[[4-(morpholinomethyl)thiazol-2-yl]methyl]-3-phenyl-propanamide (3S)-3-cyclopropyl-N-[[4-(morpho…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.58 | 6.22 | -8.6 | 1 | 5 | 0 | 54 | 385.533 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.58 | 8.5 | -41.63 | 2 | 5 | 1 | 56 | 386.541 | 8 | ↓ |
Popular Name: [2-[(4-benzyl-1-piperidyl)methyl]thiazol-4-yl]-morpholino-methanone [2-[(4-benzyl-1-piperidyl)methyl…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.50 | 9.85 | -51.16 | 1 | 5 | 1 | 47 | 386.541 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.50 | 7.62 | -9.75 | 0 | 5 | 0 | 46 | 385.533 | 5 | ↓ |
Popular Name: 2-[[(2-phenylcyclopropyl)carbonyl-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide 2-[[(2-phenylcyclopropyl)carbony…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.12 | -1.46 | -13.75 | 1 | 5 | 0 | 62 | 385.533 | 9 | ↓ |
Popular Name: 2-[[(2-phenylcyclopropyl)carbonyl-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide 2-[[(2-phenylcyclopropyl)carbony…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.12 | 9.28 | -14.06 | 1 | 5 | 0 | 62 | 385.533 | 9 | ↓ |
Popular Name: N-butyl-2-[[butyl-(2-phenylcyclopropyl)carbonyl-amino]methyl]thiazole-4-carboxamide N-butyl-2-[[butyl-(2-phenylcyclo…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.24 | 10.85 | -14.75 | 1 | 5 | 0 | 62 | 413.587 | 11 | ↓ |
Popular Name: N-butyl-2-[[butyl-(2-phenylcyclopropyl)carbonyl-amino]methyl]thiazole-4-carboxamide N-butyl-2-[[butyl-(2-phenylcyclo…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.24 | 10.83 | -14.01 | 1 | 5 | 0 | 62 | 413.587 | 11 | ↓ |