| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2011 | 25 | Yes |
Popular Name: (3S)-3-benzyl-5-cyclohexyl-1,3-dihydro-1,4-benzodiazepin-2-one (3S)-3-benzyl-5-cyclohexyl-1,3-d…
| 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) | 4.92 | 10.02 | -31.17 | 2 | 3 | 1 | 43 | 333.455 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.10 | 7.44 | -54.85 | 0 | 3 | -1 | 48 | 331.439 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.92 | 9.37 | -9.72 | 1 | 3 | 0 | 41 | 332.447 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.10 | 9.59 | -20.57 | 1 | 3 | 0 | 49 | 332.447 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
