In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 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) | 2.93 | 5.21 | -40.88 | 3 | 3 | 1 | 46 | 258.341 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.93 | 3.72 | -5.82 | 2 | 3 | 0 | 41 | 257.333 | 6 | ↓ |