UCSF

ZINC03632997

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 20 Yes

Popular Name: 2-(Diethylamino)-4-pentyno-2',6'-xylidide hydrochloride; 2-Diethylaminopent-4-ynoyl-2,6-xylidide hydrochloride; 4-Pentynamide, 2-(diethylamino)-N-(2,6-dimethylphenyl)-, monohydrochloride; 4-Pentyno-2',6'-xylidide, 2-(diethylamino)-, monohydrochloride; LS- 2-(Diethylamino)-4-pentyno-2',6'…

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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) 2.18 9.45 -31.79 2 3 1 34 273.4 6 ↓
Hi High (pH 8-9.5) 2.18 7.19 -6.78 1 3 0 32 272.392 6 ↓

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