UCSF

ZINC40788257

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 32 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) 4.78 12.43 -10.21 0 5 0 42 427.548 5
Mid Mid (pH 6-8) 4.78 14.66 -48.05 1 5 1 43 428.556 5

Activity (Go SEA)

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