UCSF

ZINC05381007

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 26 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) 1.80 6.46 -15.6 0 7 0 75 353.378 6
Lo Low (pH 4.5-6) 1.80 6.73 -41.41 1 7 1 77 354.386 6

Activity (Go SEA)

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