UCSF

ZINC00967601

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 11 No

Popular Name: (S)-verbenone (S)-verbenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1196-01-6 , 18309-32-5

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) 2.44 5.8 -6.84 0 1 0 17 150.221 0 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 227 - 228 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_PATENT_ID US4157451 IBM Patent Data

Activity (Go SEA)

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