UCSF

ZINC86860037

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 15 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) -0.64 0.2 -44.36 4 5 -1 109 227.265 2
Mid Mid (pH 6-8) -0.64 0.48 -42.14 5 5 0 111 228.273 2

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

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