In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 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) | 3.98 | 7.66 | -61.15 | 1 | 6 | -1 | 88 | 432.427 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.98 | 6.89 | -18.74 | 2 | 6 | 0 | 85 | 433.435 | 7 | ↓ |