UCSF

ZINC39917543

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 32 Yes

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Vendors

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) 3.81 12.72 -45.49 1 6 1 44 437.608 11
Hi High (pH 8-9.5) 3.81 10.34 -13.66 0 6 0 43 436.6 11
Mid Mid (pH 6-8) 3.81 12.6 -48.79 1 6 1 44 437.608 11
Lo Low (pH 4.5-6) 3.81 13.01 -82.42 2 6 2 45 438.616 11

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