In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 19 | 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) | 4.41 | 7.54 | -43.95 | 3 | 2 | 1 | 37 | 276.787 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.41 | 8.32 | -32.79 | 2 | 2 | 0 | 40 | 275.779 | 6 | ↓ |