UCSF

ZINC22682188

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 24 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) 4.19 11.79 -44.4 2 3 1 34 325.476 8
Hi High (pH 8-9.5) 4.19 9.39 -8.33 1 3 0 32 324.468 8

Activity (Go SEA)

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