In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2008 | 29 | Yes |
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) | 2.69 | -4.59 | -48.57 | 3 | 7 | 1 | 80 | 414.555 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.69 | -4.39 | -92.65 | 4 | 7 | 2 | 82 | 415.563 | 8 | ↓ |