UCSF

ZINC71491529

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 32 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) 3.43 9.93 -23.45 1 7 0 85 444.413 8
Mid Mid (pH 6-8) 3.43 10.37 -46.03 2 7 1 87 445.421 8

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

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