UCSF

ZINC38003532

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 1.61 3.37 -48.65 3 4 1 49 290.309 7
Hi High (pH 8-9.5) 1.79 1.71 -57.97 2 4 0 55 289.301 7
Mid Mid (pH 6-8) 1.61 5.84 -124.9 4 4 2 50 291.317 7
Mid Mid (pH 6-8) 1.61 4.48 -39.83 3 4 1 46 290.309 7

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