In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 36 | 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) | 4.06 | 12.33 | -20.71 | 1 | 6 | 0 | 72 | 497.62 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.06 | 12.78 | -55.48 | 2 | 6 | 1 | 73 | 498.628 | 7 | ↓ |