In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | 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) | 2.78 | 5.07 | -51.83 | 2 | 5 | -1 | 82 | 272.28 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.78 | 3.08 | -9.41 | 3 | 5 | 0 | 79 | 273.288 | 5 | ↓ |