In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 32 | No |
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) | 2.65 | 11.78 | -82.9 | 1 | 9 | 0 | 120 | 439.468 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.65 | 11.03 | -61.66 | 2 | 9 | 1 | 117 | 440.476 | 9 | ↓ |