In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 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) | 4.28 | 10.2 | -40.82 | 2 | 1 | 1 | 17 | 240.37 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.28 | 9.04 | -3.31 | 1 | 1 | 0 | 12 | 239.362 | 4 | ↓ |