| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 20 | Yes |
Popular Name: 1-[(1R)-2-methyl-1-(2-thienyl)propyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1R)-2-methyl-1-(2-thienyl)pr…
| 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) | 4.01 | 9.16 | -38.3 | 2 | 2 | 1 | 20 | 287.452 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.01 | 6.8 | -2.72 | 1 | 2 | 0 | 15 | 286.444 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
