UCSF

ZINC00968031

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: Myrtenal Myrtenal

Find On: PubMed — Wikipedia — Google

CAS Numbers: 18486-69-6 , 23727-16-4

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) 2.75 5.75 -7.01 0 1 0 17 150.221 1 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 220 - 221 Acros Organics
PUBCHEM_PATENT_ID EP0980706A1; US6166264 IBM Patent Data

Activity (Go SEA)

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