UCSF

ZINC39260530

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 32 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) 5.92 13.99 -8.58 1 4 0 47 469.944 7
Lo Low (pH 4.5-6) 5.92 14.48 -39.42 2 4 1 48 470.952 7

Activity (Go SEA)

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