UCSF

ZINC39304521

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 29 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) 3.52 10.13 -48.08 2 5 1 48 459.408 4
Hi High (pH 8-9.5) 3.52 7.96 -10.8 1 5 0 47 458.4 4

Activity (Go SEA)

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