UCSF

ZINC22777561

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 27 No

Popular Name: (3aR,7aR)-2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-di (3aR,7aR)-2-[[4-[(4-methoxypheny…

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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) 1.87 5.68 -7.55 0 6 0 53 369.465 5 ↓
Mid Mid (pH 6-8) 1.87 7.9 -41 1 6 1 54 370.473 5 ↓
Mid Mid (pH 6-8) 1.87 7.91 -41.86 1 6 1 54 370.473 5 ↓
Mid Mid (pH 6-8) 1.87 7.94 -40.54 1 6 1 54 370.473 5 ↓

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

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