UCSF

ZINC69149190

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 22 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) 3.44 6.05 -35.45 2 4 1 48 340.297 5
Hi High (pH 8-9.5) 3.44 6.1 -34.35 2 4 1 48 340.297 6
Hi High (pH 8-9.5) 3.44 5.17 -9.4 1 4 0 46 339.289 5

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

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