In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 16 | 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) | 1.64 | 5.37 | -40.1 | 2 | 3 | 1 | 29 | 225.287 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.64 | 4.06 | -5.78 | 1 | 3 | 0 | 24 | 224.279 | 4 | ↓ |