In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2009 | 20 | 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) | 2.96 | 6.51 | -47.38 | 3 | 4 | 1 | 49 | 276.404 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.96 | 5.22 | -9.25 | 2 | 4 | 0 | 44 | 275.396 | 6 | ↓ |