UCSF

ZINC03121857

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 14 Yes

Popular Name: 4-(Acetamidomethyl)benzoic acid 4-(Acetamidomethyl)benzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1205-58-9 , [1205-58-9]

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) 0.77 4.08 -50.43 1 4 -1 69 192.194 3 ↓
Hi High (pH 8-9.5) 4.28 7.95 -7.77 0 5 0 46 328.449 10 ↓

Vendor Notes

Note Type Comments Provided By
MP 188 - 190 Enamine Building Blocks
MP 201 - 203 Enamine Building Blocks
MP 201...203 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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