UCSF

ZINC02579683

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: (1R,4R)-Methyl 4-(hydroxymethyl)cyclohexanecarboxylate (1R,4R)-Methyl 4-(hydroxymethyl)…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 110928-44-4 , 13380-85-3 , 32529-79-6 , [110928-44-4]

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) 1.23 2.8 -6.77 1 3 0 47 172.224 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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