In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 34 | 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) | 4.37 | 9.44 | -25.67 | 2 | 8 | 0 | 101 | 529.49 | 14 | ↓ |
Hi High (pH 8-9.5) | 4.19 | 8.1 | -53.62 | 1 | 8 | -1 | 107 | 528.482 | 14 | ↓ |