UCSF

ZINC38139075

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 21 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) 2.81 10.77 -50.74 1 4 1 47 284.383 1
Mid Mid (pH 6-8) 3.22 9.46 -30.52 1 4 0 49 283.375 1
Mid Mid (pH 6-8) 3.22 9.8 -79.4 2 4 1 50 284.383 1
Lo Low (pH 4.5-6) 3.22 9.75 -42.38 2 4 1 50 284.383 1

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

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