In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2008 | 29 | 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) | 0.48 | -6.41 | -15.81 | 2 | 7 | 0 | 91 | 395.507 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.48 | -6.32 | -38.68 | 3 | 7 | 1 | 92 | 396.515 | 4 | ↓ |