UCSF

ZINC36207156

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 29 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) 2.60 6.79 -55.8 3 7 1 89 418.539 10
Hi High (pH 8-9.5) 3.06 4.24 -48.46 2 7 0 92 417.531 10

Activity (Go SEA)

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