UCSF

ZINC35567316

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 32 No

Popular Name: (2S)-3-(2,4-dimethylthiazole-5-carbonyl)-2-(4-ethylphenyl)-4-hydroxy-1-(2-morpholinoethyl)-2H-pyrrol (2S)-3-(2,4-dimethylthiazole-5-c…

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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) 2.27 7.12 -58.75 0 7 -1 86 454.572 7 ↓
Mid Mid (pH 6-8) 2.27 9.38 -72.56 1 7 0 87 455.58 7 ↓
Lo Low (pH 4.5-6) 2.27 8.63 -53.27 2 7 1 84 456.588 7 ↓

Activity (Go SEA)

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