UCSF

ZINC54840155

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 26 No

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Annotations

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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) 1.01 3.5 -12.72 3 7 0 100 374.828 7
Hi High (pH 8-9.5) 1.20 2.7 -48.64 2 7 -1 107 373.82 7
Lo Low (pH 4.5-6) 1.01 3.95 -46.53 4 7 1 101 375.836 7

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

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