UCSF

ZINC00352045

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: 4-(1-azepanyl)aniline 4-(1-azepanyl)aniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 057356-18-0 , 1092733-37-3 , 57356-18-0 , [57356-18-0]

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) 2.53 5.97 -27.94 3 2 1 30 191.298 1 ↓
Hi High (pH 8-9.5) 2.53 5.66 -2.74 2 2 0 29 190.29 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 158 - 160 Enamine Building Blocks
MP 158...160 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
melting_point Oil KeyOrganics

Activity (Go SEA)

Rings

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