UCSF

ZINC67947671

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 27 No

Popular Name: (3aS,6aR)-5-(5-acetyl-2-pyridyl)-3-(3-morpholinopropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazol-2-o (3aS,6aR)-5-(5-acetyl-2-pyridyl)…

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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) 0.77 5.48 -19.18 0 8 0 75 374.441 6 ↓
Mid Mid (pH 6-8) 0.77 7.74 -56.29 1 8 1 76 375.449 6 ↓
Lo Low (pH 4.5-6) 0.77 8.15 -99.9 2 8 2 78 376.457 6 ↓

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

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