UCSF

ZINC38604371

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 22 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) 2.28 4.44 -18.03 0 7 0 89 296.286 5
Mid Mid (pH 6-8) 2.28 5.44 -36.06 1 7 1 91 297.294 5
Lo Low (pH 4.5-6) 2.28 5.51 -42.81 1 7 1 91 297.294 5

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

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