UCSF

ZINC39365257

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 17 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) 0.51 2.78 -110.57 5 5 2 70 247.383 9
Mid Mid (pH 6-8) 0.51 0.44 -45.82 4 5 1 69 246.375 9
Mid Mid (pH 6-8) 0.51 2.4 -41.22 4 5 1 69 246.375 9

Activity (Go SEA)

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