UCSF

ZINC05260218

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 12 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) 0.85 1.73 -13.7 1 4 0 62 186.236 1
Hi High (pH 8-9.5) 0.67 1.25 -45.29 0 4 -1 61 185.228 2

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

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