| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 15 | Yes |
Popular Name: [2-chloro-6-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methanamine [2-chloro-6-(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) | 1.61 | 3.88 | -41.02 | 4 | 4 | 1 | 69 | 241.727 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 3.48 | -6.38 | 3 | 4 | 0 | 68 | 240.719 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 3.68 | -43.8 | 3 | 4 | 0 | 68 | 240.719 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 3.28 | -40.33 | 2 | 4 | -1 | 66 | 239.711 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
