In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 13 | 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) | 2.42 | 2.79 | -14.44 | 2 | 3 | 0 | 49 | 179.219 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 3.81 | -58.1 | 1 | 3 | -1 | 52 | 178.211 | 2 | ↓ |