UCSF

ZINC41686428

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 3.64 10.65 -37.55 1 5 1 53 331.234 7
Hi High (pH 8-9.5) 3.64 8.17 -6.05 0 5 0 52 330.226 7

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Rings

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