UCSF

ZINC58315932

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 23 Yes

Popular Name: (1R)-1-(3-fluorophenyl)-N,N-dimethyl-N'-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methy (1R)-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) 1.79 6.06 -56.28 3 5 1 50 318.42 6 ↓
Hi High (pH 8-9.5) 1.79 5.87 -7.8 2 5 0 45 317.412 6 ↓
Mid Mid (pH 6-8) 1.79 6.22 -103.03 4 5 2 51 319.428 6 ↓
Lo Low (pH 4.5-6) 1.79 7.99 -197.2 5 5 3 52 320.436 6 ↓

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

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