UCSF

ZINC02383254

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 11 Yes

Popular Name: 4-(Hydroxymethyl)cyclohexanecarboxylic acid 4-(Hydroxymethyl)cyclohexanecarb…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13380-84-2 , 3006-96-0 , 66185-74-8 , 73094-35-6 , [13380-84-2] , [66185-74-8]

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) 0.61 1.76 -50.64 1 3 -1 60 157.189 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 120 TCI
Melting_Point 179-183? Alfa-Aesar
Melting_Point 179-183° Alfa-Aesar
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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