UCSF

ZINC41586121

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 2.19 7.61 -19.62 1 10 0 119 476.526 11
Mid Mid (pH 6-8) 2.19 9.84 -53.9 2 10 1 120 477.534 11

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

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