UCSF

ZINC60219309

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 17 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) 2.30 5.98 -30.81 2 2 1 25 230.331 2
Hi High (pH 8-9.5) 2.30 3.64 -3.58 1 2 0 23 229.323 2

Activity (Go SEA)

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