UCSF

ZINC62950954

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 13 No

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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) -0.62 1.98 -46.25 2 4 1 51 183.231 0
Hi High (pH 8-9.5) -0.62 -0.65 -9.36 1 4 0 49 182.223 0

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

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