UCSF

ZINC38591499

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 3.38 5.71 -6.96 1 3 0 34 246.335 2
Mid Mid (pH 6-8) 3.38 6.07 -35.33 2 3 1 39 247.343 2

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

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