UCSF

ZINC39557136

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 24 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) 0.36 3.33 -58.06 5 7 1 108 334.396 9
Hi High (pH 8-9.5) 0.36 2.99 -18.8 4 7 0 106 333.388 9

Activity (Go SEA)

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