In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 18th, 2011 | 46 | 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) | 6.69 | 13.49 | -18.36 | 1 | 8 | 0 | 89 | 618.73 | 12 | ↓ |
Mid Mid (pH 6-8) | 6.69 | 16.65 | -40.03 | 1 | 8 | 0 | 93 | 618.73 | 12 | ↓ |
Mid Mid (pH 6-8) | 6.69 | 14.33 | -53.78 | 0 | 8 | -1 | 91 | 617.722 | 12 | ↓ |
Mid Mid (pH 6-8) | 6.69 | 15.72 | -54.58 | 2 | 8 | 1 | 90 | 619.738 | 12 | ↓ |
No pre-computed analogs available. Try a structural similarity search.