UCSF

ZINC33824755

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 20 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) 3.44 7.62 -45.75 2 3 1 35 270.352 5
Mid Mid (pH 6-8) 3.44 6.41 -5.24 1 3 0 30 269.344 5

Activity (Go SEA)

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