UCSF

ZINC22078163

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 18 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) 2.98 7.75 -31.14 1 2 1 8 265.808 2
Hi High (pH 8-9.5) 2.98 6.14 -2.35 0 2 0 6 264.8 2

Activity (Go SEA)

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