In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 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) | 4.26 | 9.54 | -20.35 | 1 | 10 | 0 | 113 | 496.574 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.44 | 8.11 | -51.71 | 0 | 10 | -1 | 120 | 495.566 | 8 | ↓ |