| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 22nd, 2011 | 15 | No |
Popular Name: 4-amino-5-(azepan-1-ylmethyl)-4H-1,2,4-triazole-3-thiol 4-amino-5-(azepan-1-ylmethyl)-4H…
| 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) | 0.88 | 5.79 | -47.93 | 3 | 5 | 0 | 61 | 227.337 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.88 | 3.72 | -41.31 | 2 | 5 | -1 | 60 | 226.329 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.