UCSF

ZINC58331257

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 23 No

Popular Name: 1-[3-(methylsulfonylmethyl)phenyl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]m 1-[3-(methylsulfonylmethyl)pheny…

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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) 1.13 4.15 -62.44 3 6 1 81 335.453 6 ↓
Hi High (pH 8-9.5) 1.13 2.96 -17.66 2 6 0 76 334.445 6 ↓
Mid Mid (pH 6-8) 1.13 4.31 -106.41 4 6 2 82 336.461 6 ↓

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

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