UCSF

ZINC39230315

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 30 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) 5.33 13.1 -9.37 1 4 0 45 405.586 5
Lo Low (pH 4.5-6) 5.33 13.63 -31.24 2 4 1 46 406.594 5

Activity (Go SEA)

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