UCSF

ZINC89223775

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2013 26 Yes

Popular Name: 3-(2-Hydroxyethyl)phenol 3-(2-Hydroxyethyl)phenol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13398-94-2 , 2415-09-0 , [13398-94-2]

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) 0.98 -0.27 -5.3 2 2 0 40 138.166 2 ↓
Hi High (pH 8-9.5) 2.68 9.22 -47.47 2 5 1 55 356.49 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.