UCSF

ZINC23141268

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 15 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.22 5.8 -15.36 2 6 0 84 206.205 4
Hi High (pH 8-9.5) 0.41 4.52 -41.8 1 6 -1 90 205.197 4

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

No pre-computed analogs available. Try a structural similarity search.