| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 22 | Yes |
Popular Name: 1-methyl-4-[3-(trifluoromethyl)-2-pyridyl]-3,5-dihydro-2H-1,4-benzodiazepine 1-methyl-4-[3-(trifluoromethyl)-…
None
| 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) | 3.30 | 9.73 | -5.84 | 0 | 3 | 0 | 19 | 307.319 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.30 | 9.82 | -32.53 | 1 | 3 | 1 | 21 | 308.327 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
