UCSF

ZINC39318197

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 17 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) 2.70 6.92 -3.31 2 2 0 29 224.307 1
Lo Low (pH 4.5-6) 2.70 6.72 -39.65 3 2 1 31 225.315 1
Lo Low (pH 4.5-6) 2.70 8.23 -32.71 3 2 1 30 225.315 1

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