In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 15th, 2009 | 37 | 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) | 4.95 | 13.29 | -71.35 | 1 | 7 | 0 | 83 | 500.595 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.95 | 10.74 | -58.94 | 0 | 7 | -1 | 82 | 499.587 | 10 | ↓ |