| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 12 | No |
Popular Name: 4-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1,2,4-triazole-3-thiol 4-[(1S)-2-cyclopropyl-1-methyl-e…
| 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) | 0.95 | 7.76 | -13.32 | 1 | 3 | 0 | 34 | 183.28 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 7.73 | -45.09 | 0 | 3 | -1 | 31 | 182.272 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
