| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 18 | Yes |
Popular Name: 1-(4-pyridylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(4-pyridylmethyl)-2,3,4,5-tetr…
| 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) | 1.52 | 6.77 | -39.19 | 2 | 3 | 1 | 33 | 240.33 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 5.5 | -5.24 | 1 | 3 | 0 | 28 | 239.322 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.52 | 7.23 | -95.21 | 3 | 3 | 2 | 34 | 241.338 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
