In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 36 | 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) | 5.20 | 9.81 | -62.81 | 1 | 7 | -1 | 99 | 494.608 | 14 | ↓ |
Lo Low (pH 4.5-6) | 5.20 | 9.05 | -16.83 | 2 | 7 | 0 | 96 | 495.616 | 14 | ↓ |