UCSF

ZINC23908794

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2009 32 No

Popular Name: (3aS,7aR)-2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-3a,4,7,7a-tetrahydroisoindole-1, (3aS,7aR)-2-[[(1,3-diphenylpyraz…

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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) 3.25 11.61 -12.21 0 6 0 58 426.52 6 ↓
Ref Reference (pH 7) 3.25 11.98 -11.79 0 6 0 58 426.52 6 ↓
Lo Low (pH 4.5-6) 3.25 14.23 -40.41 1 6 1 60 427.528 6 ↓
Lo Low (pH 4.5-6) 3.25 13.88 -42.43 1 6 1 60 427.528 6 ↓

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Rings

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

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