UCSF

ZINC37240458

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 3.21 6.45 -36.52 2 3 1 23 290.475 5
Mid Mid (pH 6-8) 3.21 7.25 -29.27 2 3 1 20 290.475 5
Lo Low (pH 4.5-6) 3.21 8.8 -92.12 3 3 2 24 291.483 5

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

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