In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2010 | 22 | Yes |
Popular Name: N-[(3R)-2-oxoazepan-3-yl]-2-[(2R)-2-(2-thienyl)pyrrolidin-1-yl]acetamide N-[(3R)-2-oxoazepan-3-yl]-2-[(2R…
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) | 1.84 | 6.16 | -47.43 | 3 | 5 | 1 | 63 | 322.454 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.84 | 4.05 | -19.32 | 2 | 5 | 0 | 61 | 321.446 | 4 | ↓ |