In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 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) | 5.14 | 6.37 | -11.07 | 3 | 7 | 0 | 99 | 506.784 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.94 | 5.99 | -51.57 | 1 | 7 | -1 | 98 | 505.776 | 6 | ↓ |