UCSF

ZINC19994974

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 36 Yes

Popular Name: (4-benzylpiperazin-1-yl)-[(5R,7S)-3-chloro-5-(p-tolyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazol (4-benzylpiperazin-1-yl)-[(5R,7S…

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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) 5.02 11.96 -10.7 1 6 0 53 517.983 5 ↓
Mid Mid (pH 6-8) 5.02 14.14 -45.19 2 6 1 55 518.991 5 ↓
Mid Mid (pH 6-8) 5.19 11.84 -32.57 2 6 1 58 518.991 5 ↓
Lo Low (pH 4.5-6) 5.19 14.05 -98.32 3 6 2 59 519.999 5 ↓

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Rings

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

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