In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 24th, 2009 | 35 | 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) | 4.33 | 9.97 | -25.7 | 1 | 9 | 0 | 103 | 496.589 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.52 | 8.51 | -57.89 | 0 | 9 | -1 | 109 | 495.581 | 10 | ↓ |