In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2010 | 16 | 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) | -0.06 | 0.76 | -10.45 | 1 | 5 | 0 | 52 | 222.292 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.06 | 3.06 | -40.56 | 2 | 5 | 1 | 54 | 223.3 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.06 | 0.86 | -28.59 | 2 | 5 | 1 | 54 | 223.3 | 3 | ↓ |