UCSF

ZINC00407099

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: 5-(2-Hydroxypropan-2-yl)-2-methylcyclohex-2-enol 5-(2-Hydroxypropan-2-yl)-2-methy…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 42370-41-2 , 498-71-5 , [498-71-5]

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) 1.69 0.67 -4.34 2 2 0 40 170.252 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0158170A2; EP0167825A2; EP0170839A2; EP0174816A2; EP0177673A2; EP0177673B1; EP0190449A1; EP0191600A2; EP0191600B1; EP0225195A1; EP0225195B1; EP0251197A2; EP0251197B1; EP0343367A1; EP0413668A2; EP0413668B1; EP0510561A1; EP0510561B1; EP0530311A1; EP068717 IBM Patent Data

Activity (Go SEA)

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