UCSF

ZINC02164695

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 14 No

Popular Name: 3-(4-Isopropylphenyl)isobutyraldehyde 3-(4-Isopropylphenyl)isobutyrald…

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CAS Numbers: 103-95-7 , [103-95-7]

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) 4.20 8.16 -6.09 0 1 0 17 190.286 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 270 TCI

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