In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2009 | 32 | 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) | 6.01 | 10.03 | -15.77 | 3 | 7 | 0 | 96 | 451.596 | 8 | ↓ |
Hi High (pH 8-9.5) | 6.19 | 9.14 | -46.8 | 2 | 7 | -1 | 102 | 450.588 | 8 | ↓ |