In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 4th, 2009 | 31 | 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) | 6.87 | 16.25 | -36.93 | 1 | 3 | 1 | 23 | 416.585 | 11 | ↓ |
Hi High (pH 8-9.5) | 6.87 | 13.74 | -6.52 | 0 | 3 | 0 | 22 | 415.577 | 11 | ↓ |