UCSF

ZINC00697896

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 33 Yes

Popular Name: N-[2-[[4-[2-(4-ethylpiperazino)-2-keto-ethyl]thiazol-2-yl]amino]-2-keto-ethyl]-N-isopropyl-4-methyl- N-[2-[[4-[2-(4-ethylpiperazino)-…

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Annotations

Vendors

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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) 2.29 8.26 -27.11 1 8 0 86 471.627 8 ↓
Hi High (pH 8-9.5) 2.11 7.18 -65.61 0 8 -1 92 470.619 8 ↓
Mid Mid (pH 6-8) 2.29 10.58 -63.22 2 8 1 87 472.635 8 ↓

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