UCSF

ZINC20925636

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 34 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) 2.74 6.59 -16.47 1 8 0 88 479.558 5
Hi High (pH 8-9.5) 2.74 6.67 -42.8 0 8 -1 90 478.55 5

Activity (Go SEA)

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