In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | 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) | 2.25 | 5.45 | -30.8 | 3 | 3 | 1 | 34 | 248.394 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.25 | 3.32 | -2.23 | 2 | 3 | 0 | 32 | 247.386 | 3 | ↓ |