In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2010 | 22 | 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) | -3.98 | 0.73 | -80.91 | 5 | 9 | 0 | 146 | 314.342 | 6 | ↓ |
Hi High (pH 8-9.5) | -3.98 | 0.34 | -51.2 | 4 | 9 | -1 | 145 | 313.334 | 6 | ↓ |