UCSF

ZINC33812806

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 30 No

Popular Name: (2S)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-1-(2-morpholinoethyl)-2-(2-pyridyl)-2H-pyrrol-5-o (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) 0.19 3.97 -60.31 0 8 -1 99 427.506 6 ↓
Mid Mid (pH 6-8) 0.19 6.22 -89.01 1 8 0 100 428.514 6 ↓
Lo Low (pH 4.5-6) 0.19 6.74 -99.02 2 8 1 101 429.522 6 ↓
Lo Low (pH 4.5-6) 0.19 5.26 -63.22 2 8 1 97 429.522 6 ↓

Activity (Go SEA)

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