In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 37 | 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) | 6.56 | 14.49 | -17.39 | 0 | 6 | 0 | 57 | 499.634 | 7 | ↓ |
Lo Low (pH 4.5-6) | 6.56 | 16.73 | -106.2 | 2 | 6 | 2 | 59 | 501.65 | 7 | ↓ |