UCSF

ZINC65509029

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 22 No

Popular Name: (2S,5S)-2-[4-[[(4R)-2-methyl-4H-imidazol-4-yl]methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiad (2S,5S)-2-[4-[[(4R)-2-methyl-4H-…

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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) 0.74 0.45 -31.66 4 6 1 60 337.395 4 ↓
Mid Mid (pH 6-8) 0.74 0.32 -7.79 3 6 0 59 336.387 4 ↓
Lo Low (pH 4.5-6) 0.74 2.61 -35.94 4 6 1 60 337.395 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.