UCSF

ZINC31572158

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 19 Yes

Popular Name: 2-(N-(2-Dimethylaminoethyl)-N-hexylamino)-4-methylpyridine; BRN 0402914; LS-131450; Pyridine, 2-(N-(2-dimethylaminoethyl)-N-hexylamino)-4-methyl-; R.493 2-(N-(2-Dimethylaminoethyl)-N-he…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.02 11.28 -34.18 1 3 1 21 264.437 9 ↓
Hi High (pH 8-9.5) 4.02 9.17 -26.46 1 3 1 21 264.437 9 ↓
Hi High (pH 8-9.5) 4.02 11.64 -91.5 2 3 2 22 265.445 9 ↓
Hi High (pH 8-9.5) 4.02 8.82 -4.08 0 3 0 19 263.429 9 ↓

Activity (Go SEA)

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