In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 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) | 2.98 | 10.39 | -114.55 | 3 | 2 | 2 | 21 | 274.452 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.98 | 9.22 | -33.2 | 2 | 2 | 1 | 16 | 273.444 | 4 | ↓ |