UCSF

ZINC31961006

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 1.44 4.62 -52.6 5 5 1 82 299.398 7
Mid Mid (pH 6-8) 1.44 5.09 -92.97 6 5 2 83 300.406 7

Activity (Go SEA)

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