In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 36 | 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) | 3.37 | 11.2 | -18.85 | 0 | 6 | 0 | 53 | 509.647 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.37 | 13.46 | -55.47 | 1 | 6 | 1 | 54 | 510.655 | 10 | ↓ |