UCSF

ZINC19688642

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 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) 1.57 6.5 -86.9 3 3 2 24 279.403 3
Hi High (pH 8-9.5) 1.57 5.09 -35.75 2 3 1 20 278.395 3

Activity (Go SEA)

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