UCSF

ZINC55242941

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 22 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) 2.02 10.71 -104.3 2 4 2 29 325.522 6
Hi High (pH 8-9.5) 2.02 8.44 -48.5 1 4 1 28 324.514 6

Activity (Go SEA)

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