UCSF

ZINC40548146

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 31 No

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Annotations

None

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) 3.08 5.96 -41.79 1 7 -1 106 460.894 3
Mid Mid (pH 6-8) 3.08 4.9 -22.2 2 7 0 103 461.902 3
Mid Mid (pH 6-8) 3.08 5.2 -22.94 2 7 0 103 461.902 3

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

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