UCSF

ZINC02040990

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 11 Yes

Popular Name: Beta-terpineol Beta-terpineol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 138-87-4 , 8000-41-7

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) 2.62 -0.23 -2.26 1 1 0 20 154.253 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 213-218? Alfa-Aesar
Melting_Point 31-36? Alfa-Aesar

Activity (Go SEA)

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

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