UCSF

ZINC02574344

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 No

Popular Name: 3-(3-Nitrophenyl)propionic acid 3-(3-Nitrophenyl)propionic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1664-57-9 , 21388-97-6 , [1664-57-9]

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) 1.82 6.4 -47.67 0 5 -1 86 194.166 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 110-112° Matrix Scientific
MP 111 - 113 Enamine Building Blocks
MP 111...113 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Rings

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