| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 21st, 2010 | 20 | No |
Popular Name: 4-[(3S)-1-cyclopropylpyrrolidin-3-yl]-5-phenyl-1,2,4-triazole-3-thiol 4-[(3S)-1-cyclopropylpyrrolidin-…
| 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) | 2.80 | 9.78 | -43.47 | 1 | 4 | 0 | 35 | 286.404 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.80 | 7.4 | -44.83 | 0 | 4 | -1 | 34 | 285.396 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.08 | 9.56 | -35.74 | 2 | 4 | 1 | 38 | 287.412 | 3 | ↓ |
