| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 20 | No |
Popular Name: 4-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,2,4-triazole-3-thiol 4-propyl-5-(1,3,4,5-tetrahydro-2…
| 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) | 2.66 | 12.08 | -12.02 | 1 | 4 | 0 | 37 | 288.42 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.38 | 12.19 | -47.42 | 0 | 4 | -1 | 34 | 287.412 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
