UCSF

ZINC41055725

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 27 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) 3.05 9.34 -13.78 2 5 0 75 399.834 3
Hi High (pH 8-9.5) 3.11 8.76 -55.2 1 5 -1 81 398.826 3
Mid Mid (pH 6-8) 4.35 9.1 -44.61 1 5 -1 78 398.826 3

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