UCSF

ZINC69803156

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 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) 1.48 6.8 -45.8 1 6 1 51 349.48 4
Hi High (pH 8-9.5) 1.48 4.53 -11.62 0 6 0 50 348.472 4
Mid Mid (pH 6-8) 1.48 6.92 -87.63 2 6 2 53 350.488 4
Mid Mid (pH 6-8) 1.48 4.93 -35.09 1 6 1 51 349.48 4
Lo Low (pH 4.5-6) 1.48 8.79 -112.48 2 6 2 52 350.488 4

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

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