UCSF

ZINC62566303

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 11 Yes

Popular Name: (3R,8aS)octahydropyrrolo[1,2-a]pyrazin-3-ylmethanol (3R,8aS)octahydropyrrolo[1,2-a]p…

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Download: MOL2 SDF SMILES Flexibase

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) -0.27 -1.29 -32.98 3 3 1 40 157.237 1 ↓
Hi High (pH 8-9.5) -0.27 -0.41 -30.17 3 3 1 37 157.237 1 ↓
Hi High (pH 8-9.5) -0.27 -2.55 -3.38 2 3 0 35 156.229 1 ↓

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

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