UCSF

ZINC62950347

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 Yes

Popular Name: (1S)-N-ethyl-1-(6-methyl-3-pyridyl)-2-(4-pyridyl)ethanamine (1S)-N-ethyl-1-(6-methyl-3-pyrid…

Find On: PubMed — Wikipedia — Google

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) 1.39 6.51 -47.99 2 3 1 42 242.346 5 ↓
Hi High (pH 8-9.5) 1.39 5.65 -6.01 1 3 0 38 241.338 5 ↓
Lo Low (pH 4.5-6) 1.39 6.93 -106.07 3 3 2 44 243.354 5 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.