In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 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) | 3.55 | 7.23 | -38.65 | 2 | 3 | 1 | 34 | 258.341 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.55 | 4.65 | -8.51 | 1 | 3 | 0 | 33 | 257.333 | 5 | ↓ |