In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 31 | 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) | 3.96 | 9.21 | -14.29 | 0 | 6 | 0 | 51 | 426.557 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.96 | 11.48 | -45.34 | 1 | 6 | 1 | 52 | 427.565 | 9 | ↓ |