UCSF

ZINC38738809

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 6.35 12.99 -8.73 0 4 0 33 436.64 8
Mid Mid (pH 6-8) 6.35 15.2 -41.49 1 4 1 34 437.648 8

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

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