UCSF

ZINC71575345

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Substance Information

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

Popular Name: 2-[(3aS,6aR)-3-[2-(3-chlorophenyl)ethyl]-2-oxo-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazol-5-yl]pyridin 2-[(3aS,6aR)-3-[2-(3-chloropheny…

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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) 1.95 7.58 -17.54 2 7 0 89 386.839 5 ↓
Lo Low (pH 4.5-6) 1.95 8.04 -43.54 3 7 1 90 387.847 5 ↓

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Rings

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

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