UCSF

ZINC07109197

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2006 25 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) 2.95 6.67 -45.49 2 5 1 54 368.429 4
Hi High (pH 8-9.5) 2.95 4.45 -40.61 0 5 -1 55 366.413 4
Hi High (pH 8-9.5) 2.95 4.38 -9.46 1 5 0 53 367.421 4
Hi High (pH 8-9.5) 2.95 6.8 -61.79 1 5 0 56 367.421 4

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