In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 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) | 3.00 | 10.76 | -46.88 | 2 | 7 | 1 | 66 | 467.634 | 11 | ↓ |
Hi High (pH 8-9.5) | 3.00 | 8.39 | -16.99 | 1 | 7 | 0 | 65 | 466.626 | 11 | ↓ |