UCSF

ZINC40549482

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 23 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) 3.23 7.72 -21.97 0 4 0 56 331.437 6
Mid Mid (pH 6-8) 3.93 6.37 -56.07 0 4 -1 62 330.429 5

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

No pre-computed analogs available. Try a structural similarity search.