UCSF

ZINC00697315

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Substance Information

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

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

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Download: MOL2 SDF SMILES Flexibase

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) 2.10 6.47 -26.5 2 9 0 104 501.653 11 ↓
Hi High (pH 8-9.5) 1.92 5.4 -56.41 1 9 -1 110 500.645 11 ↓
Mid Mid (pH 6-8) 2.10 8.82 -63.58 3 9 1 105 502.661 11 ↓

Activity (Go SEA)

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