| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 18 | Yes |
Popular Name: 1-[(3-methyl-2-thienyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(3-methyl-2-thienyl)methyl]-2…
| 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) | 3.09 | 8.11 | -44.27 | 2 | 2 | 1 | 20 | 259.398 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.09 | 6.86 | -4.55 | 1 | 2 | 0 | 15 | 258.39 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
