UCSF

ZINC58329875

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 22 Yes

Popular Name: (1S)-1-(4-chlorophenyl)-2-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]pro (1S)-1-(4-chlorophenyl)-2-methyl…

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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) 3.77 8.27 -56.14 3 4 1 46 319.86 5 ↓
Hi High (pH 8-9.5) 3.77 7.4 -6.93 2 4 0 42 318.852 5 ↓
Mid Mid (pH 6-8) 3.77 8.43 -101.61 4 4 2 48 320.868 5 ↓

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

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