In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 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) | 1.64 | 6.46 | -22.75 | 0 | 9 | 0 | 89 | 451.479 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 8.75 | -61.11 | 1 | 9 | 1 | 90 | 452.487 | 5 | ↓ |