In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2009 | 21 | 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) | 4.32 | 7.05 | -14.39 | 2 | 4 | 0 | 58 | 279.343 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.32 | 7.42 | -30.52 | 3 | 4 | 1 | 59 | 280.351 | 3 | ↓ |