In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 32 | 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) | 3.46 | 12.04 | -50.69 | 1 | 6 | 1 | 54 | 456.632 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.46 | 10.27 | -12.33 | 0 | 6 | 0 | 53 | 455.624 | 5 | ↓ |