UCSF

ZINC41473112

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 20 No

Popular Name: 5-(1,3-dihydrothieno[3,4-b]quinolin-9-ylamino)pentan-1-ol 5-(1,3-dihydrothieno[3,4-b]quino…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.16 5.23 -28.59 3 3 1 46 289.424 6 ↓
Hi High (pH 8-9.5) 3.16 4.85 -9.75 2 3 0 45 288.416 6 ↓

Activity (Go SEA)

Rings

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

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