| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 14 | No |
Popular Name: (3S)-4-amino-3-(3-bromophenyl)-3H-1,2,4-triazole-5-thione (3S)-4-amino-3-(3-bromophenyl)-3…
| 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) | 2.22 | 3.55 | -10.36 | 2 | 4 | 0 | 54 | 271.143 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 4.13 | -46.83 | 3 | 4 | 1 | 56 | 272.151 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 3.77 | -120.36 | 4 | 4 | 2 | 57 | 273.159 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
