In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 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) | 4.50 | 7.68 | -57.58 | 1 | 7 | -1 | 97 | 478.908 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.50 | 6.92 | -14.24 | 2 | 7 | 0 | 94 | 479.916 | 8 | ↓ |