In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 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) | 6.74 | 16.91 | -45.07 | 0 | 5 | -1 | 70 | 502.59 | 8 | ↓ |
Lo Low (pH 4.5-6) | 6.74 | 15.78 | -19.54 | 1 | 5 | 0 | 67 | 503.598 | 8 | ↓ |