UCSF

ZINC95902784

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 28 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) 4.69 13.82 -38.43 1 4 1 40 382.524 7
Hi High (pH 8-9.5) 4.69 11.52 -5.91 0 4 0 39 381.516 7

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

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