UCSF

ZINC49567754

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 Yes

Popular Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]am 1-(6,7-dihydro-4H-thieno[3,2-c]p…

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) 1.25 7.62 -114.8 3 4 2 41 307.463 3 ↓
Hi High (pH 8-9.5) 1.25 6.45 -38.58 2 4 1 37 306.455 3 ↓
Hi High (pH 8-9.5) 1.25 3.94 -8.41 1 4 0 36 305.447 3 ↓
Hi High (pH 8-9.5) 1.25 5.11 -46.1 2 4 1 40 306.455 3 ↓

Activity (Go SEA)

Rings

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

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