UCSF

ZINC20260245

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 3.07 7.68 -14.91 1 4 0 50 299.37 5
Hi High (pH 8-9.5) 3.07 8.62 -64.84 0 4 -1 53 298.362 5

Activity (Go SEA)

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