UCSF

ZINC66636222

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 22 No

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Annotations

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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) 2.15 8.61 -16.09 2 5 0 63 377.322 6
Mid Mid (pH 6-8) 2.88 8.39 -44.9 1 5 -1 60 376.314 6

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

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