In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 14 | 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) | 1.62 | 4.16 | -42.57 | 3 | 3 | 1 | 48 | 201.334 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.62 | 3.84 | -7.48 | 2 | 3 | 0 | 46 | 200.326 | 6 | ↓ |