UCSF

ZINC69874012

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 19 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) 0.66 7.9 -56.84 1 5 1 48 278.405 3
Mid Mid (pH 6-8) 0.66 5.65 -15.29 0 5 0 47 277.397 3

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

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