UCSF

ZINC58327589

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 20 Yes

Popular Name: (1S)-1-(2,5-dimethyl-3-thienyl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]etha (1S)-1-(2,5-dimethyl-3-thienyl)-…

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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) 2.37 7.14 -53.05 3 4 1 46 291.444 4 ↓
Hi High (pH 8-9.5) 2.37 5.98 -7.77 2 4 0 42 290.436 4 ↓
Mid Mid (pH 6-8) 2.37 7.3 -99.77 4 4 2 48 292.452 4 ↓

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

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