In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 38 | 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) | 6.50 | 14.02 | -59.36 | 0 | 7 | -1 | 88 | 522.662 | 16 | ↓ |
Lo Low (pH 4.5-6) | 6.50 | 13.12 | -12.86 | 1 | 7 | 0 | 85 | 523.67 | 16 | ↓ |