UCSF

ZINC43164462

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2010 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) 2.52 8.08 -37.5 1 4 1 34 289.399 4
Hi High (pH 8-9.5) 2.52 5.87 -5.89 0 4 0 33 288.391 4

Activity (Go SEA)

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