UCSF

ZINC39705685

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 31 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) 1.02 5.49 -70.07 3 9 1 109 447.537 7
Mid Mid (pH 6-8) 1.02 3.16 -22.69 2 9 0 108 446.529 7

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