UCSF

ZINC14229303

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 31 No

Popular Name: (3aR,7aR)-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoind (3aR,7aR)-2-[[4-[3-(trifluoromet…

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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) 2.20 5.98 -12.27 0 7 0 78 457.474 5 ↓
Ref Reference (pH 7) 2.20 5.94 -13.56 0 7 0 78 457.474 5 ↓
Ref Reference (pH 7) 2.20 5.9 -11.91 0 7 0 78 457.474 5 ↓
Lo Low (pH 4.5-6) 2.20 8.88 -48.83 1 7 1 79 458.482 5 ↓

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

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