UCSF

ZINC69901171

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 25 No

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) 3.60 6.38 -53.77 0 8 -1 116 378.411 5
Mid Mid (pH 6-8) 4.53 6.64 -19.12 1 8 0 117 379.419 4

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

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