In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 13th, 2011 | 25 | 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) | 2.62 | 10.74 | -49.26 | 1 | 5 | 1 | 43 | 339.463 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.62 | 8.51 | -13.16 | 0 | 5 | 0 | 41 | 338.455 | 2 | ↓ |