In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2009 | 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) | 2.84 | 9.32 | -14.08 | 1 | 8 | 0 | 91 | 443.507 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.84 | 9.5 | -51.76 | 2 | 8 | 1 | 92 | 444.515 | 5 | ↓ |