UCSF

ZINC39570794

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 17 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) 1.68 2.41 -44.74 4 5 1 83 237.279 6
Hi High (pH 8-9.5) 1.68 2.02 -8.33 3 5 0 81 236.271 6

Activity (Go SEA)

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