In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 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) | 1.14 | 3.58 | -37.34 | 3 | 3 | 0 | 68 | 209.27 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.14 | 3.36 | -45.05 | 2 | 3 | -1 | 66 | 208.262 | 1 | ↓ |