In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 33 | 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) | 0.70 | 5.72 | -26.03 | 1 | 9 | 0 | 91 | 456.522 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.70 | 8.07 | -64.3 | 2 | 9 | 1 | 92 | 457.53 | 6 | ↓ |