| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 20 | Yes |
Popular Name: 1-[(1S)-1-(5-ethyl-2-thienyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-(5-ethyl-2-thienyl)eth…
| 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) | 4.06 | 9.6 | -41.76 | 2 | 2 | 1 | 20 | 287.452 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.06 | 8.35 | -3.46 | 1 | 2 | 0 | 15 | 286.444 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
