UCSF

ZINC22696414

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 35 No

Popular Name: 3-[[2-[(5S)-2-diethylamino-4-oxo-thiazol-5-yl]acetyl]amino]-N-[(1S)-2-dimethylamino-1-phenyl-ethyl]b 3-[[2-[(5S)-2-diethylamino-4-oxo…

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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) 2.56 10.5 -52.14 3 8 1 95 496.657 11 ↓
Hi High (pH 8-9.5) 2.56 8.12 -28.79 2 8 0 94 495.649 11 ↓
Lo Low (pH 4.5-6) 2.56 11.44 -78.54 4 8 2 97 497.665 11 ↓

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

No pre-computed analogs available. Try a structural similarity search.