UCSF

ZINC33813178

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 No

Popular Name: (2S)-1-(2-diethylaminoethyl)-4-hydroxy-3-(4-methyl-2-phenyl-thiazole-5-carbonyl)-2-(p-tolyl)-2H-pyrr (2S)-1-(2-diethylaminoethyl)-4-h…

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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) 4.92 13.05 -66.47 1 6 0 78 489.641 9 ↓
Hi High (pH 8-9.5) 4.92 11.2 -58.87 0 6 -1 77 488.633 9 ↓
Lo Low (pH 4.5-6) 4.92 12.62 -45.62 2 6 1 75 490.649 9 ↓

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