UCSF

ZINC25137561

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 25 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) 0.00 5.05 -55.15 2 7 1 95 365.479 6
Mid Mid (pH 6-8) 0.00 2.86 -19.87 1 7 0 94 364.471 6

Activity (Go SEA)

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