In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 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) | 3.88 | 11.77 | -75.09 | 1 | 6 | 0 | 74 | 499.405 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.88 | 11.01 | -52.52 | 2 | 6 | 1 | 71 | 500.413 | 7 | ↓ |