In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 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) | 2.91 | 11.48 | -52.37 | 2 | 7 | 1 | 78 | 441.577 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.91 | 9.05 | -18.33 | 1 | 7 | 0 | 76 | 440.569 | 7 | ↓ |