| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 16 | Yes |
Popular Name: 4-[(3S)-pyrrolidin-3-yl]-3,5-dihydro-2H-1,4-benzoxazepine 4-[(3S)-pyrrolidin-3-yl]-3,5-dih…
| 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) | 1.52 | 3.57 | -42.74 | 2 | 3 | 1 | 29 | 219.308 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 4.16 | -33.7 | 2 | 3 | 1 | 26 | 219.308 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 2.15 | -4.38 | 1 | 3 | 0 | 24 | 218.3 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
