In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2009 | 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) | 0.64 | 9.34 | -258.52 | 2 | 12 | -3 | 206 | 519.479 | 12 | ↓ |
Lo Low (pH 4.5-6) | 0.65 | 5.62 | -130.64 | 3 | 12 | -2 | 203 | 520.487 | 12 | ↓ |
Lo Low (pH 4.5-6) | 0.65 | 5.66 | -152.52 | 3 | 12 | -2 | 203 | 520.487 | 12 | ↓ |