UCSF

ZINC36455738

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 11 Yes

Popular Name: 4-Amino-3-methoxybenzonitrile 4-Amino-3-methoxybenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 177476-76-5 , [177476-76-5]

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) 1.16 2.18 -6.09 2 3 0 59 148.165 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 45 - 47 Enamine Building Blocks
MP 45...47 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
melting_point LMS KeyOrganics

Activity (Go SEA)

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