UCSF

ZINC39261924

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 22 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) 3.18 9.79 -11.05 0 4 0 38 299.418 4
Mid Mid (pH 6-8) 3.18 10.21 -30.26 1 4 1 39 300.426 4

Activity (Go SEA)

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