In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2008 | 31 | 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) | 2.00 | 4.36 | -13.32 | 1 | 8 | 0 | 94 | 439.3 | 4 | ↓ |
Ref Reference (pH 7) | 2.00 | 4.77 | -14.91 | 1 | 8 | 0 | 94 | 439.3 | 4 | ↓ |
Ref Reference (pH 7) | 2.00 | 5.39 | -21.16 | 1 | 8 | 0 | 94 | 439.3 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.00 | 4.59 | -73.75 | 2 | 8 | 1 | 96 | 440.308 | 4 | ↓ |