UCSF

ZINC32090254

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 17 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) 1.19 5.53 -44.64 3 3 1 48 239.314 5
Mid Mid (pH 6-8) 1.19 5.15 -12.33 2 3 0 46 238.306 5

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