| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 18 | Yes |
Popular Name: 1-[(5-methyl-2-furyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(5-methyl-2-furyl)methyl]-2,3…
| 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) | 2.29 | 7.67 | -44.94 | 2 | 3 | 1 | 33 | 243.33 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 6.42 | -5.95 | 1 | 3 | 0 | 28 | 242.322 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
