In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 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) | 4.71 | 14.28 | -22.82 | 1 | 7 | 0 | 76 | 484.6 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.71 | 14.72 | -38.42 | 2 | 7 | 1 | 78 | 485.608 | 9 | ↓ |