UCSF

ZINC20118934

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.28 11.12 -20.43 1 7 0 82 387.443 3
Mid Mid (pH 6-8) 1.28 11.58 -49.15 2 7 1 83 388.451 3
Mid Mid (pH 6-8) 1.28 11.11 -24.17 1 7 0 82 387.443 3
Mid Mid (pH 6-8) 1.28 11.59 -45.65 2 7 1 83 388.451 3
Mid Mid (pH 6-8) 1.28 11.12 -24.89 1 7 0 82 387.443 3

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

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