UCSF

ZINC62527051

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 23 Yes

Popular Name: (3S,7aR)-3-phenyl-N-tetrahydropyran-4-yl-1,3,5,6,7,7a-hexahydropyrrolo[2,1-e]imidazole-2-carboxamide (3S,7aR)-3-phenyl-N-tetrahydropy…

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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) 2.77 7.32 -39.45 2 5 1 46 316.425 2 ↓
Hi High (pH 8-9.5) 2.77 5 -9.88 1 5 0 45 315.417 2 ↓

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

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