UCSF

ZINC20542555

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 22 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 9.17 -44.33 3 2 1 37 290.386 5
Hi High (pH 8-9.5) 4.19 8.1 -7.21 2 2 0 32 289.378 5

Activity (Go SEA)

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