UCSF

ZINC33812817

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 34 No

Popular Name: (2S)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-1-(2-morpholinoethyl)-2-(4-propoxyphenyl)-2H-pyrr (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) 2.30 6.7 -58.87 0 8 -1 95 484.598 9 ↓
Mid Mid (pH 6-8) 2.30 8.85 -68.07 1 8 0 96 485.606 9 ↓
Lo Low (pH 4.5-6) 2.30 8.03 -51.58 2 8 1 93 486.614 9 ↓

Activity (Go SEA)

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