UCSF

ZINC35406228

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 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) 0.17 5.82 -13.39 0 7 0 66 365.474 8
Mid Mid (pH 6-8) 0.17 8.05 -50.25 1 7 1 67 366.482 8

Activity (Go SEA)

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