UCSF

ZINC49067302

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 19 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) 3.07 7.15 -39.68 2 4 1 46 282.433 5
Mid Mid (pH 6-8) 2.89 6.44 -31.14 1 4 0 53 281.425 5

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