UCSF

ZINC39854006

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 26 No

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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) 5.50 9.56 -10.49 1 5 0 64 417.303 6
Hi High (pH 8-9.5) 5.50 10.7 -60.84 0 5 -1 67 416.295 6
Hi High (pH 8-9.5) 5.50 9.86 -55.03 0 5 -1 67 416.295 6

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