UCSF

ZINC39265316

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 27 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) 4.96 10.35 -7.59 0 5 0 37 379.43 4
Mid Mid (pH 6-8) 4.96 12.6 -47.33 1 5 1 38 380.438 4

Activity (Go SEA)

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