| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2011 | 20 | Yes |
Popular Name: (3R)-3-benzyl-1-ethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine (3R)-3-benzyl-1-ethyl-2,3,4,5-te…
| 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) | 3.58 | 8.88 | -30.6 | 2 | 2 | 1 | 16 | 267.396 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.58 | 10.12 | -35.51 | 2 | 2 | 1 | 20 | 267.396 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.58 | 8.94 | -3.32 | 1 | 2 | 0 | 15 | 266.388 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
