In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 11 | No |
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) | 0.82 | 2.36 | -50.42 | 4 | 2 | 1 | 40 | 175.614 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.82 | 3.09 | -45.52 | 4 | 2 | 1 | 43 | 175.614 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.82 | 2.56 | -4.51 | 3 | 2 | 0 | 38 | 174.606 | 2 | ↓ |