UCSF

ZINC00697256

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 35 Yes

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

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Download: MOL2 SDF SMILES Flexibase

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) 2.33 6.23 -24.1 2 9 0 104 522.071 11 ↓
Hi High (pH 8-9.5) 2.15 5.16 -51.98 1 9 -1 110 521.063 11 ↓
Mid Mid (pH 6-8) 2.33 8.57 -61.13 3 9 1 105 523.079 11 ↓

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