UCSF

ZINC22778990

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 28 No

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) 2.40 6.59 -21.08 2 6 0 65 380.492 5
Mid Mid (pH 6-8) 2.40 8.49 -45.96 3 6 1 66 381.5 5
Mid Mid (pH 6-8) 2.40 8.91 -50.29 3 6 1 66 381.5 5

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

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