In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 18 | 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) | 2.80 | 3.54 | -8.97 | 3 | 3 | 0 | 59 | 236.274 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.80 | 4.1 | -54.92 | 2 | 3 | -1 | 62 | 235.266 | 1 | ↓ |