UCSF

ZINC22052245

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 22 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) 3.36 8.29 -138.78 4 3 2 41 300.446 4
Hi High (pH 8-9.5) 3.36 6.13 -51.19 3 3 1 40 299.438 4
Hi High (pH 8-9.5) 3.36 8.16 -34.65 3 3 1 40 299.438 4

Activity (Go SEA)

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