UCSF

ZINC71600285

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 15 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) 1.67 2.43 -7.13 2 3 0 41 269.142 2
Mid Mid (pH 6-8) 1.67 3.62 -48.55 3 3 1 46 270.15 2

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

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