UCSF

ZINC13429337

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 29 No

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Annotations

Vendors

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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) 4.93 7.04 -10.17 2 6 0 85 398.455 3
Hi High (pH 8-9.5) 4.93 7.23 -42.64 1 6 -1 88 397.447 3

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

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