UCSF

ZINC63737659

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 29 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) 3.16 4.64 -48.97 2 6 0 77 422.432 5
Lo Low (pH 4.5-6) 3.16 4.06 -42.27 3 6 1 75 423.44 5

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

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