UCSF

ZINC69964664

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 18 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) 0.72 5.86 -29.43 4 6 1 75 249.342 5
Mid Mid (pH 6-8) 0.72 5.72 -101.08 5 6 2 77 250.35 5
Mid Mid (pH 6-8) 0.72 5.4 -8.07 3 6 0 74 248.334 5
Lo Low (pH 4.5-6) 0.72 5.99 -77.7 5 6 2 76 250.35 5

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

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