| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2010 | 17 | No |
Popular Name: 4-[(1S)-1-(4-bromophenyl)ethyl]-5-ethyl-1,2,4-triazole-3-thiol 4-[(1S)-1-(4-bromophenyl)ethyl]-…
| 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) | 2.87 | 9.29 | -10.93 | 1 | 3 | 0 | 34 | 312.236 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.60 | 8.76 | -43.51 | 0 | 3 | -1 | 31 | 311.228 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
