In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2009 | 10 | Yes |
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) | 0.35 | 0.93 | -46.4 | 4 | 3 | 1 | 53 | 156.234 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.35 | 0.63 | -5.17 | 3 | 3 | 0 | 51 | 155.226 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.35 | 1.29 | -94.64 | 5 | 3 | 2 | 54 | 157.242 | 2 | ↓ |
Popular Name: (2S)-N2,N2-dimethyl-N1-thiazol-2-yl-propane-1,2-diamine (2S)-N2,N2-dimethyl-N1-thiazol-2…
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) | 1.21 | 4.34 | -36.89 | 2 | 3 | 1 | 29 | 186.304 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.21 | 2.13 | -3.96 | 1 | 3 | 0 | 28 | 185.296 | 4 | ↓ |
Popular Name: (2R)-N2,N2-dimethyl-N1-thiazol-2-yl-propane-1,2-diamine (2R)-N2,N2-dimethyl-N1-thiazol-2…
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) | 1.21 | 4.36 | -37.14 | 2 | 3 | 1 | 29 | 186.304 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.21 | 2.06 | -3.92 | 1 | 3 | 0 | 28 | 185.296 | 4 | ↓ |