UCSF

ZINC67540825

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 27 No

Popular Name: (3aS,6aR)-5-[(2,5-dimethylphenyl)methyl]-3-(3-morpholinopropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d]ox (3aS,6aR)-5-[(2,5-dimethylphenyl…

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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 6.6 -14.6 0 6 0 45 373.497 6 ↓
Mid Mid (pH 6-8) 2.29 8.87 -50.93 1 6 1 46 374.505 6 ↓
Lo Low (pH 4.5-6) 2.29 10.62 -110.27 2 6 2 48 375.513 6 ↓

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

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