UCSF

ZINC39500151

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 33 No

Popular Name: [4-[[(5S)-5-(4-fluorophenyl)-2-(p-tolyl)-1,5-dihydropyrazol-4-yl]methyl]piperazin-1-yl]-[(3R)-3H-1,2 [4-[[(5S)-5-(4-fluorophenyl)-2-(…

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Vendors

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) 2.48 10.08 -39.77 1 8 -1 79 446.51 5 ↓
Mid Mid (pH 6-8) 2.48 12.8 -53.52 3 8 1 82 448.526 5 ↓
Mid Mid (pH 6-8) 2.48 10.58 -8.81 2 8 0 80 447.518 5 ↓
Mid Mid (pH 6-8) 2.48 12.3 -58.62 2 8 0 80 447.518 5 ↓

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

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