UCSF

ZINC40447987

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 24 Yes

Popular Name: 6-(tert-Butoxycarbonyl)-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid 6-(tert-Butoxycarbonyl)-2-(1H-py…

Find On: PubMed — Wikipedia — Google

CAS Number: 1215764-56-9

Other Names:

MFCD11100094

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) 2.95 10.23 -54.76 0 6 -1 75 347.416 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

Rings

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

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