UCSF

ZINC39854012

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 24 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) 4.48 7.48 -13.48 1 5 0 64 389.249 4
Hi High (pH 8-9.5) 4.48 8.61 -64.48 0 5 -1 67 388.241 4
Hi High (pH 8-9.5) 4.48 7.83 -58.12 0 5 -1 67 388.241 4

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