UCSF

ZINC67755587

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 26 No

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

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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) 1.63 4.6 -12.77 0 6 0 45 363.433 6 ↓
Mid Mid (pH 6-8) 1.63 6.86 -48.8 1 6 1 46 364.441 6 ↓
Lo Low (pH 4.5-6) 1.63 9.34 -114.95 2 6 2 48 365.449 6 ↓

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

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