| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 17 | No |
Popular Name: 5-(4-methyl-1,4-diazepan-1-yl)-4-propyl-1,2,4-triazole-3-thiol 5-(4-methyl-1,4-diazepan-1-yl)-4…
| 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) | 0.91 | 10.17 | -55.44 | 2 | 5 | 1 | 41 | 256.399 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 8.15 | -48.56 | 0 | 5 | -1 | 37 | 254.383 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.64 | 10.14 | -73.89 | 1 | 5 | 0 | 38 | 255.391 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
