In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 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) | 2.27 | 5.07 | -10.57 | 1 | 4 | 0 | 55 | 251.336 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.33 | 4.15 | -40.88 | 0 | 4 | -1 | 61 | 250.328 | 3 | ↓ |