| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2008 | 19 | No |
Popular Name: 5-phenyl-4-[2-(1-pyrrolidinyl)ethyl]-4H-1,2,4-triazol-3-yl hydrosulfide 5-phenyl-4-[2-(1-pyrrolidinyl)et…
| 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) | 2.72 | 9.8 | -52.36 | 1 | 4 | 0 | 35 | 274.393 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.72 | 7.34 | -49.02 | 0 | 4 | -1 | 34 | 273.385 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.99 | 9.95 | -45.12 | 2 | 4 | 1 | 38 | 275.401 | 4 | ↓ |
