UCSF

ZINC39549264

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 36 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) 3.09 6.55 -16.17 2 8 0 89 491.588 10
Lo Low (pH 4.5-6) 3.09 8.46 -54.72 3 8 1 90 492.596 10

Activity (Go SEA)

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