In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2009 | 35 | 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) | 4.45 | 9.68 | -62.71 | 2 | 5 | -1 | 98 | 485.685 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.45 | 7.72 | -15.55 | 3 | 5 | 0 | 95 | 486.693 | 2 | ↓ |