UCSF

ZINC13008213

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 23 No

Popular Name: (3aR,7aR)-2-[(benzyl-cyclopropyl-amino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione (3aR,7aR)-2-[(benzyl-cyclopropyl…

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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) 2.29 8.54 -6.94 0 4 0 41 310.397 5 ↓
Lo Low (pH 4.5-6) 2.29 10.62 -32.95 1 4 1 42 311.405 5 ↓
Lo Low (pH 4.5-6) 2.29 10.64 -33.65 1 4 1 42 311.405 5 ↓

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

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