In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 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) | 2.99 | 11.19 | -29.3 | 2 | 9 | 0 | 115 | 514.036 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.18 | 9.66 | -61.68 | 1 | 9 | -1 | 121 | 513.028 | 8 | ↓ |