UCSF

ZINC00697258

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 Yes

Popular Name: 4-chloro-N-[2-[[4-[2-(4-ethylpiperazino)-2-keto-ethyl]thiazol-2-yl]amino]-2-keto-ethyl]-N-isobutyl-b 4-chloro-N-[2-[[4-[2-(4-ethylpip…

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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) 2.97 9.16 -21 1 8 0 86 506.072 9 ↓
Hi High (pH 8-9.5) 2.78 8.09 -48.35 0 8 -1 92 505.064 9 ↓
Mid Mid (pH 6-8) 2.97 11.49 -59.44 2 8 1 87 507.08 9 ↓

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