UCSF

ZINC53542274

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 21 Yes

Popular Name: 1-[2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]quinolin-4-one 1-[2-[[(1S)-1-(2-thienyl)ethyl]a…

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) 2.26 9.35 -68.16 2 3 1 39 299.419 5 ↓
Hi High (pH 8-9.5) 2.26 8.13 -14.54 1 3 0 34 298.411 5 ↓

Activity (Go SEA)

Rings

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

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