In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 2010 | 30 | Yes |
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) | 5.30 | 13.88 | -19.79 | 0 | 4 | 0 | 46 | 454.02 | 6 | ↓ |
Lo Low (pH 4.5-6) | 5.30 | 14.96 | -38.73 | 1 | 4 | 1 | 47 | 455.028 | 6 | ↓ |