UCSF

ZINC53473988

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 29 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) 2.83 9.23 -45.87 2 7 1 64 400.499 6
Mid Mid (pH 6-8) 2.83 6.86 -11.37 1 7 0 63 399.491 6

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