UCSF

ZINC52382952

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 21 Yes

Popular Name: N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-furyl]methyl]-2-methyl-propan-1-amine N-[[2-(6,7-dihydro-4H-thieno[3,2…

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) 2.87 7.84 -42.55 2 3 1 33 305.467 6 ↓
Mid Mid (pH 6-8) 2.87 10.02 -116.09 3 3 2 34 306.475 6 ↓

Activity (Go SEA)

Rings

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

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