In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 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) | 2.56 | 6.72 | -33.74 | 2 | 3 | 1 | 33 | 304.483 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.56 | 8.08 | -35.03 | 2 | 3 | 1 | 29 | 304.483 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.56 | 9.07 | -99.58 | 3 | 3 | 2 | 34 | 305.491 | 3 | ↓ |