UCSF

ZINC85224991

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2013 21 Yes

Popular Name: 5-Methoxy-9-methyl-2,3,3a,3a1,8,9,10,11-octahydro-4-oxa-9-azacycloocta[def]fluoren-2-ol hydrobromide 5-Methoxy-9-methyl-2,3,3a,3a1,8,…

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CAS Number: 69353-21-5

Other Names:

MFCD00067672

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) 1.41 4.5 -48.01 2 4 1 43 288.367 1 ↓
Hi High (pH 8-9.5) 1.41 2.33 -9.13 1 4 0 42 287.359 1 ↓

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

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