In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 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) | 1.15 | 8.07 | -78.96 | 3 | 8 | 1 | 91 | 496.607 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.15 | 8.39 | -118.54 | 4 | 8 | 2 | 93 | 497.615 | 6 | ↓ |