UCSF

ZINC42417104

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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) 0.83 5.89 -36.25 2 4 0 57 234.299 3
Lo Low (pH 4.5-6) 0.83 7.07 -91.02 3 4 1 61 235.307 3

Activity (Go SEA)

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