UCSF

ZINC20350953

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 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) 0.92 5.01 -9.41 1 5 0 48 233.319 5
Lo Low (pH 4.5-6) 0.92 5.13 -31.14 2 5 1 49 234.327 5

Activity (Go SEA)

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