UCSF

ZINC40444201

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 18 Yes

Popular Name: 2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethanol 2-(4-thieno[3,2-c]pyridin-4-ylpi…

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) 1.30 2.96 -30.15 2 4 1 41 264.374 3 ↓
Mid Mid (pH 6-8) 1.30 2.48 -7.13 1 4 0 40 263.366 3 ↓
Mid Mid (pH 6-8) 1.30 5.25 -89.74 3 4 2 42 265.382 3 ↓

Activity (Go SEA)

Rings

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

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