UCSF

ZINC25759180

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 25 Yes

Popular Name: (2R,3aS,8bR)-2-[[(2R,3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d]oxazol-2-yl]methyl]-2,3a,4,8b-tet (2R,3aS,8bR)-2-[[(2R,3aS,8bR)-2,…

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CAS Numbers: (+)-2,2'-Methylenebis[(3AR,8AS)-3A,8A-Dihydro-8H-Indeno[1,2-D]Oxazole] , 180186-94-1

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) 2.92 4.37 -40.91 3 4 1 47 335.427 2 ↓
Hi High (pH 8-9.5) 2.92 2.63 -5.34 2 4 0 43 334.419 2 ↓
Lo Low (pH 4.5-6) 2.92 6.26 -111.08 4 4 2 52 336.435 2 ↓

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

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