In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2008 | 26 | 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) | 4.32 | 8.23 | -8.74 | 1 | 5 | 0 | 67 | 387.823 | 1 | ↓ |
Mid Mid (pH 6-8) | 4.78 | 5.83 | -38.42 | 0 | 5 | -1 | 70 | 386.815 | 1 | ↓ |
Mid Mid (pH 6-8) | 4.78 | 6.27 | -40.02 | 0 | 5 | -1 | 70 | 386.815 | 1 | ↓ |