In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 18 | 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) | 2.99 | 7.26 | -45.9 | 2 | 3 | 1 | 33 | 262.764 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.99 | 5.96 | -8.62 | 1 | 3 | 0 | 28 | 261.756 | 1 | ↓ |