In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2009 | 36 | 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) | 5.13 | 11.73 | -15.78 | 1 | 7 | 0 | 80 | 503.624 | 9 | ↓ |
Lo Low (pH 4.5-6) | 1.47 | 12.59 | -42.37 | 2 | 7 | 1 | 80 | 504.632 | 10 | ↓ |