UCSF

ZINC19256342

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 12 Yes

Popular Name: N,N-dimethyl-N'-(3-thienylmethyl)-1,2-ethanediamine N,N-dimethyl-N'-(3-thienylmethyl…

Find On: PubMed — Wikipedia — Google

CAS Number: 892593-13-4

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) 1.11 4.11 -34.34 2 2 1 16 185.316 5 ↓
Hi High (pH 8-9.5) 1.11 1.62 -2.28 1 2 0 15 184.308 5 ↓
Mid Mid (pH 6-8) 1.11 3.02 -40.08 2 2 1 20 185.316 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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