In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 15 | 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) | 2.28 | 5.14 | -45.97 | 3 | 2 | 1 | 37 | 220.317 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.28 | 4.79 | -6.25 | 2 | 2 | 0 | 35 | 219.309 | 4 | ↓ |