UCSF

ZINC22863141

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 29 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) 3.75 10.33 -43.27 1 5 1 43 397.539 9
Mid Mid (pH 6-8) 3.75 10.97 -45.87 1 5 1 43 397.539 9
Mid Mid (pH 6-8) 3.75 8.99 -8.25 0 5 0 42 396.531 9

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

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