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) | 4.74 | 9.06 | -55.15 | 1 | 6 | -1 | 88 | 434.512 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.74 | 8.29 | -12.43 | 2 | 6 | 0 | 85 | 435.52 | 9 | ↓ |