UCSF

ZINC86861167

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 10 Yes

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) 1.12 4.28 -28.85 1 2 1 8 143.254 2
Hi High (pH 8-9.5) 1.12 2.14 -1.37 0 2 0 6 142.246 2
Mid Mid (pH 6-8) 1.12 3.77 -26.56 1 2 1 8 143.254 2

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

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