In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 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) | 2.76 | 7.33 | -37.86 | 3 | 4 | 0 | 71 | 248.326 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.76 | 7.53 | -53.87 | 2 | 4 | -1 | 69 | 247.318 | 2 | ↓ |