In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 27th, 2010 | 14 | 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) | 3.03 | 5.87 | -35.38 | 2 | 2 | 1 | 20 | 201.378 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.03 | 7.94 | -110.19 | 3 | 2 | 2 | 21 | 202.386 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.03 | 6.59 | -32.17 | 2 | 2 | 1 | 16 | 201.378 | 10 | ↓ |