In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 31 | No |
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) | 5.11 | 11.09 | -16.74 | 2 | 6 | 0 | 84 | 456.999 | 8 | ↓ |
Hi High (pH 8-9.5) | 5.29 | 10.03 | -42.42 | 1 | 6 | -1 | 90 | 455.991 | 8 | ↓ |
Popular Name: (2R)-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide (2R)-3-methyl-N-(5-methyl-1,3,4-…
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) | 1.57 | 6.04 | -15.98 | 2 | 6 | 0 | 84 | 332.429 | 6 | ↓ |
Popular Name: (2S)-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide (2S)-3-methyl-N-(5-methyl-1,3,4-…
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) | 1.57 | 6.03 | -15.92 | 2 | 6 | 0 | 84 | 332.429 | 6 | ↓ |
Popular Name: (2S)-2-acetamido-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butyramide (2S)-2-acetamido-3-methyl-N-(5-p…
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) | 2.01 | -1.43 | -15.17 | 2 | 6 | 0 | 83 | 318.402 | 5 | ↓ |
Popular Name: (2R)-2-acetamido-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butyramide (2R)-2-acetamido-3-methyl-N-(5-p…
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) | 2.01 | -1.52 | -14.59 | 2 | 6 | 0 | 83 | 318.402 | 5 | ↓ |