UCSF

ZINC56696239

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2011 25 No

Popular Name: (3aS,7aR)-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dion (3aS,7aR)-2-[[(2R)-2-(4-methoxyp…

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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) 2.57 6.5 -8.72 0 5 0 50 340.423 4 ↓
Lo Low (pH 4.5-6) 2.57 9.85 -34.41 1 5 1 51 341.431 4 ↓

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

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