In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2010 | 21 | No |
Popular Name: 4-[(1S,2S)-2-phenylcyclopropyl]-5-(3-pyridyl)-1,2,4-triazole-3-thiol 4-[(1S,2S)-2-phenylcyclopropyl]-…
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) | 2.92 | 9.7 | -44.78 | 0 | 4 | -1 | 44 | 293.375 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.19 | 9.74 | -10.68 | 1 | 4 | 0 | 47 | 294.383 | 3 | ↓ |