UCSF

ZINC25927350

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 20 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) 1.96 4.28 -12.89 1 4 0 45 291.42 6
Mid Mid (pH 6-8) 1.96 6.67 -44.69 2 4 1 46 292.428 6

Activity (Go SEA)

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