UCSF

ZINC01699441

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Substance Information

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

Popular Name: P-menthane P-menthane

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CAS Numbers: 1678-82-6 , 6069-98-3 , 99-82-1 , 99-87-6 , [99-82-1]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.25 6.97 0.09 0 0 0 0 140.27 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 167 TCI
Patent Database Links US2004014811; US2007178123; WO2007126430 ChEBI
PUBCHEM_PATENT_ID US4331605; US5212173; US5294638; WO1996003124A1; WO2000058260A1 IBM Patent Data
PUBCHEM_PATENT_ID US5212173 IBM Patent Data

Activity (Go SEA)

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

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