In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 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) | 4.04 | 11.19 | -23.25 | 1 | 6 | 0 | 72 | 465.547 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.23 | 8.6 | -49.67 | 0 | 6 | -1 | 78 | 464.539 | 9 | ↓ |