| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 26th, 2011 | 16 | Yes |
Popular Name: 3-chloro-4-hydroxy-N-(4H-1,2,4-triazol-3-yl)benzamide 3-chloro-4-hydroxy-N-(4H-1,2,4-t…
| 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) | 0.99 | 3.93 | -14.68 | 3 | 6 | 0 | 91 | 238.634 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.99 | 3.74 | -45.38 | 2 | 6 | -1 | 89 | 237.626 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.99 | 4.51 | -88.32 | 1 | 6 | -2 | 92 | 236.618 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | 3.22 | -92.61 | 1 | 6 | -2 | 100 | 236.618 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | 2.45 | -41.48 | 2 | 6 | -1 | 97 | 237.626 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
