UCSF

ZINC67559370

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Substance Information

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

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

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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 5.62 -12.06 0 6 0 45 371.481 7 ↓
Mid Mid (pH 6-8) 2.29 7.88 -47.6 1 6 1 46 372.489 7 ↓
Lo Low (pH 4.5-6) 2.29 10.36 -110.34 2 6 2 48 373.497 7 ↓

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

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