UCSF

ZINC40186897

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 32 Yes

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Annotations

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) 6.14 13.64 -12.17 1 4 0 47 439.946 5
Mid Mid (pH 6-8) 6.14 14.36 -35.36 2 4 1 48 440.954 5

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