UCSF

ZINC39323773

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 24 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) 3.10 5.52 -9.45 3 5 0 81 338.436 2
Mid Mid (pH 6-8) 3.10 5.9 -34.43 4 5 1 82 339.444 2

Activity (Go SEA)

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