UCSF

ZINC37337834

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) 3.56 6.95 -12.31 1 3 0 46 325.162 1
Hi High (pH 8-9.5) 4.02 4.85 -44.82 0 3 -1 49 324.154 1
Mid Mid (pH 6-8) 3.56 6.27 -19.74 1 3 0 46 325.162 1

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

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