In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2011 | 19 | Yes |
Popular Name: 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(4,5-dimethyl-1,2,4-triazol-3…
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) | 0.53 | 7.36 | -48.64 | 2 | 5 | 1 | 51 | 258.349 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.53 | 6.11 | -10.8 | 1 | 5 | 0 | 46 | 257.341 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.