UCSF

ZINC00897544

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 23 Yes

CAS Number: 6874-70-0

Other Names:

1551062

C03826; C08516

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) 1.83 4.58 -44.54 2 5 1 52 318.393 3
Mid Mid (pH 6-8) 1.83 2.06 -7.87 1 5 0 51 317.385 3

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

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