UCSF

ZINC03588108

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 27 No

Popular Name: [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl]-[2-(2,6-dimethylanilino)-2-keto-ethyl]-methyl-ammonium [2-(5-chloro-2-cyano-anilino)-2-…

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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) 2.91 9.57 -53.97 3 6 1 86 385.875 6 ↓
Hi High (pH 8-9.5) 2.73 8.76 -37.63 2 6 0 93 384.867 6 ↓

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