In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 27th, 2010 | 12 | Yes |
None
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) | 1.97 | 4.31 | -34.88 | 2 | 2 | 1 | 20 | 173.324 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.97 | 6.43 | -106.78 | 3 | 2 | 2 | 21 | 174.332 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.97 | 5.07 | -30.9 | 2 | 2 | 1 | 16 | 173.324 | 8 | ↓ |