| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2011 | 22 | Yes |
Popular Name: (3S)-3-benzyl-5-isopropyl-1,3-dihydro-1,4-benzodiazepin-2-one (3S)-3-benzyl-5-isopropyl-1,3-di…
| 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) | 3.75 | 8.17 | -30.61 | 2 | 3 | 1 | 43 | 293.39 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.93 | 5.6 | -53.88 | 0 | 3 | -1 | 48 | 291.374 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.75 | 7.52 | -9.88 | 1 | 3 | 0 | 41 | 292.382 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 7.75 | -22.76 | 1 | 3 | 0 | 49 | 292.382 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
