UCSF

ZINC39758225

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 25 No

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) 4.43 10.63 -13.72 1 7 0 101 352.375 5
Hi High (pH 8-9.5) 4.43 10.42 -45.56 0 7 -1 99 351.367 5

Activity (Go SEA)

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