UCSF

ZINC58305250

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 24 Yes

Popular Name: (1S)-1-(3-fluorophenyl)-N,N-dimethyl-N'-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6 (1S)-1-(3-fluorophenyl)-N,N-dime…

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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) 2.01 6.38 -53.88 3 5 1 50 332.447 6 ↓
Hi High (pH 8-9.5) 2.01 6.16 -8.44 2 5 0 45 331.439 6 ↓
Mid Mid (pH 6-8) 2.01 6.48 -96.2 4 5 2 51 333.455 6 ↓
Lo Low (pH 4.5-6) 2.01 8.55 -194.1 5 5 3 52 334.463 6 ↓

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Rings

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

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