UCSF

ZINC13424240

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 35 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) 4.89 11.99 -13.25 0 7 0 87 479.573 8
Mid Mid (pH 6-8) 4.89 11.99 -18.03 0 7 0 87 479.573 8
Mid Mid (pH 6-8) 5.07 11.03 -15.41 0 7 0 87 479.573 8

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

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