In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 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) | 2.12 | 3.3 | -54.8 | 4 | 4 | 1 | 66 | 274.34 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.12 | 2.93 | -7.75 | 3 | 4 | 0 | 65 | 273.332 | 6 | ↓ |