UCSF

ZINC49449286

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2010 19 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) 1.46 4.73 -34.66 3 5 1 63 270.397 6
Hi High (pH 8-9.5) 1.46 2.52 -8.31 2 5 0 61 269.389 6

Activity (Go SEA)

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