UCSF

ZINC39263471

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 26 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) 1.08 6.76 -16.73 0 6 0 57 376.526 6
Mid Mid (pH 6-8) 1.08 8.91 -49.28 1 6 1 58 377.534 6

Activity (Go SEA)

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