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) | 4.56 | 14.15 | -77.16 | 1 | 5 | 0 | 65 | 432.564 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.56 | 13.25 | -47.73 | 2 | 5 | 1 | 62 | 433.572 | 9 | ↓ |