UCSF

ZINC32158289

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 2.83 8.97 -86.23 3 4 2 40 296.455 10
Hi High (pH 8-9.5) 2.83 6.37 -47.55 2 4 1 38 295.447 10

Activity (Go SEA)

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