UCSF

ZINC66864801

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 26 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) 1.50 8.49 -42.3 1 6 1 54 362.494 8
Hi High (pH 8-9.5) 1.50 7.13 -13.29 0 6 0 53 361.486 8

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

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