UCSF

ZINC33813126

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 32 No

Popular Name: (2S)-1-(2-dimethylaminoethyl)-4-hydroxy-3-(4-methyl-2-phenyl-thiazole-5-carbonyl)-2-(2-pyridyl)-2H-p (2S)-1-(2-dimethylaminoethyl)-4-…

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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) 2.55 9.73 -73.13 1 7 0 91 448.548 7 ↓
Hi High (pH 8-9.5) 2.55 7.37 -60.8 0 7 -1 89 447.54 7 ↓
Lo Low (pH 4.5-6) 2.55 10.26 -98.2 2 7 1 92 449.556 7 ↓
Lo Low (pH 4.5-6) 2.55 9.1 -50.52 2 7 1 88 449.556 7 ↓

Activity (Go SEA)

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