In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 1st, 2008 | 33 | 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) | 6.26 | 9.29 | -11.09 | 3 | 5 | 0 | 77 | 475.467 | 6 | ↓ |
Lo Low (pH 4.5-6) | 6.26 | 9.53 | -35.87 | 4 | 5 | 1 | 78 | 476.475 | 6 | ↓ |