UCSF

ZINC00407096

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: trans-Sobrerol trans-Sobrerol

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CAS Numbers: 42370-41-2 , 498-71-5 , [498-71-5]

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) 1.69 0.68 -3.66 2 2 0 40 170.252 1 ↓

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