UCSF

ZINC71565922

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 28 No

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Annotations

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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) 3.53 12.17 -13.95 0 5 0 55 373.456 3
Mid Mid (pH 6-8) 3.53 12.69 -36.36 1 5 1 56 374.464 3

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

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