In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 13 | 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) | 2.11 | 3.19 | -38.52 | 3 | 2 | 1 | 31 | 187.351 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.11 | 4.54 | -27.33 | 3 | 2 | 1 | 30 | 187.351 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.11 | 5.04 | -114.19 | 4 | 2 | 2 | 32 | 188.359 | 6 | ↓ |