| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 13 | No |
Popular Name: (3S)-4-amino-3-(4-pyridyl)-3H-1,2,4-triazole-5-thione (3S)-4-amino-3-(4-pyridyl)-3H-1,…
| 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) | 0.14 | 1.78 | -99.1 | 4 | 5 | 2 | 70 | 195.251 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.14 | 1.33 | -40.79 | 3 | 5 | 1 | 68 | 194.243 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.14 | 2.21 | -110.1 | 4 | 5 | 2 | 70 | 195.251 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.14 | 1.4 | -123.6 | 4 | 5 | 2 | 70 | 195.251 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
