UCSF

ZINC03591018

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 12 Yes

Popular Name: 3-[1-(Dimethylamino)ethyl]phenol 3-[1-(Dimethylamino)ethyl]phenol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 105601-04-5 , 139306-10-8 , 194930-03-5 , 851086-95-8 , [139306-10-8]

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) 1.80 3.94 -35.11 2 2 1 25 166.244 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.79e+01 g/l DrugBank-experimental
Purity 95% Fluorochem

Activity (Go SEA)

Rings

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

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