UCSF

ZINC04880037

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 26 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) 2.16 4.71 -22.77 4 7 0 114 371.397 6
Hi High (pH 8-9.5) 2.16 4.51 -57.4 3 7 -1 112 370.389 6

Activity (Go SEA)

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