UCSF

ZINC12402815

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 36 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

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) 5.74 -0.92 -11.78 1 6 0 85 504.652 5
Mid Mid (pH 6-8) 5.93 -0.88 -12.12 1 6 0 85 504.652 5
Mid Mid (pH 6-8) 5.93 0.45 -14.06 1 6 0 85 504.652 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.