In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 30 | 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) | 2.67 | 4.47 | -25.31 | 1 | 10 | 0 | 142 | 426.41 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.67 | 5.45 | -45.06 | 0 | 10 | -1 | 145 | 425.402 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.67 | 5.44 | -45.21 | 0 | 10 | -1 | 145 | 425.402 | 5 | ↓ |