UCSF

ZINC63948167

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 15 Yes

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Annotations

None

Vendors

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) 2.05 3.55 -105.95 2 4 2 46 200.245 1
Lo Low (pH 4.5-6) 2.05 3.72 -186.65 3 4 3 47 201.253 1

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

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