UCSF

ZINC11920645

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2008 10 Yes

Popular Name: 3-(1-aminoethyl)phenol 3-(1-aminoethyl)phenol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 105601-04-5 , 1181458-80-9 , 123982-81-0 , 3458-98-8 , 518060-42-9 , 63720-37-8 , 63720-38-7 , 856563-08-1 , [63720-38-7]

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) -0.70 0.37 -45.79 4 2 1 48 138.19 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 139 - 141 Enamine Building Blocks
MP 139...141 Enamine Building Blocks
MP 166 - 168 Enamine Building Blocks
MP 166...168 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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