| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 15 | Yes |
Popular Name: [5-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methanamine [5-chloro-2-(1H-1,2,4-triazol-5-…
| 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) | 1.63 | 3.98 | -46.18 | 4 | 4 | 1 | 69 | 241.727 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 3.78 | -46.99 | 3 | 4 | 0 | 68 | 240.719 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 3.39 | -36.77 | 2 | 4 | -1 | 66 | 239.711 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 3.56 | -5.67 | 3 | 4 | 0 | 68 | 240.719 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
