UCSF

ZINC05294020

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 23 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) 2.46 2.43 -17.09 2 6 0 88 334.397 5
Hi High (pH 8-9.5) 2.46 2.21 -48.77 1 6 -1 91 333.389 5
Hi High (pH 8-9.5) 2.46 3.35 -61.58 1 6 -1 91 333.389 5
Lo Low (pH 4.5-6) 2.46 1.7 -42.04 3 6 1 90 335.405 5
Lo Low (pH 4.5-6) 2.46 2.84 -42.71 3 6 1 90 335.405 5

Activity (Go SEA)

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