In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 21 | 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) | 3.74 | 9.14 | -36.31 | 2 | 3 | 1 | 50 | 274.347 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.74 | 8.71 | -11.22 | 1 | 3 | 0 | 49 | 273.339 | 3 | ↓ |