In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2010 | 20 | 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) | 4.91 | 6.93 | -40.71 | 3 | 3 | 1 | 46 | 280.432 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.91 | 7.69 | -33.78 | 2 | 3 | 0 | 49 | 279.424 | 10 | ↓ |