In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2009 | 33 | Yes |
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) | 4.26 | 11.72 | -51.87 | 2 | 6 | 1 | 63 | 450.603 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.26 | 9.19 | -16.05 | 1 | 6 | 0 | 62 | 449.595 | 8 | ↓ |