UCSF

ZINC49403212

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 33 Yes

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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) 2.42 8.87 -26.04 1 10 0 110 474.539 9
Hi High (pH 8-9.5) 2.24 7.53 -61.95 0 10 -1 117 473.531 9

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

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