UCSF

ZINC01699440

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 10 Yes

Popular Name: 1-Methyl-2-propylbenzene 1-Methyl-2-propylbenzene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1074-17-5 , 135-98-8

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) 3.64 7.19 -1.76 0 0 0 0 134.222 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 185 TCI
PUBCHEM_PATENT_ID US5627258 IBM Patent Data
PUBCHEM_PATENT_ID US6004988 IBM Patent Data

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

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