In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2009 | 33 | No |
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) | 3.08 | 11.57 | -67.19 | 1 | 7 | 0 | 87 | 451.567 | 12 | ↓ |
Lo Low (pH 4.5-6) | 3.08 | 10.27 | -52.61 | 2 | 7 | 1 | 84 | 452.575 | 12 | ↓ |