In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 34 | 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) | 4.57 | 12.18 | -71.35 | 1 | 6 | 0 | 74 | 478.976 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.57 | 11.42 | -47.09 | 2 | 6 | 1 | 71 | 479.984 | 8 | ↓ |