UCSF

ZINC40045290

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 39 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) 6.25 16.31 -12.13 0 7 0 82 526.633 9
Mid Mid (pH 6-8) 6.25 16.7 -33.24 1 7 1 83 527.641 9

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