UCSF

ZINC39675531

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 33 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) 2.21 10.26 -115.39 4 6 2 70 450.627 6
Hi High (pH 8-9.5) 2.21 7.62 -56.93 3 6 1 69 449.619 6

Activity (Go SEA)

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