UCSF

ZINC40775463

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 23 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) 1.66 5.61 -12.52 0 5 0 44 333.457 2
Mid Mid (pH 6-8) 1.66 7.98 -51.8 1 5 1 45 334.465 2

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