UCSF

ZINC21984895

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 0.79 6.78 -16.42 1 5 0 64 230.271 1
Mid Mid (pH 6-8) 0.79 7.12 -40.59 2 5 1 65 231.279 1
Mid Mid (pH 6-8) 0.73 6.93 -14.53 2 5 0 67 230.271 1

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

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