UCSF

ZINC06689139

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 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) 5.58 14.29 -5.7 0 4 0 38 395.591 7
Mid Mid (pH 6-8) 5.58 15.1 -28.92 1 4 1 39 396.599 7

Activity (Go SEA)

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