| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2006 | 17 | No |
Popular Name: 4-bromo-2-[(3-methyl-5-sulfanyl-1,2,4-triazol-4-yl)iminomethyl]phenol 4-bromo-2-[(3-methyl-5-sulfanyl-…
| 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) | 1.69 | 5.12 | -9.58 | 2 | 5 | 0 | 66 | 313.18 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.42 | 6.66 | -105.39 | 0 | 5 | -2 | 66 | 311.164 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 5.89 | -36.75 | 1 | 5 | -1 | 69 | 312.172 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.42 | 5.89 | -50.56 | 1 | 5 | -1 | 63 | 312.172 | 2 | ↓ |
