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) | 2.71 | 9.7 | -28.14 | 2 | 10 | 0 | 124 | 501.638 | 12 | ↓ |
Hi High (pH 8-9.5) | 2.90 | 8.16 | -60.65 | 1 | 10 | -1 | 130 | 500.63 | 12 | ↓ |