UCSF

ZINC67513989

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 22 Yes

Popular Name: 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxyl 2-[(3R)-3-(hydroxymethyl)pyrroli…

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) 0.34 1.25 -92.27 3 7 0 114 346.43 4 ↓
Hi High (pH 8-9.5) 0.34 -0.14 -64.5 2 7 -1 110 345.422 4 ↓

Activity (Go SEA)

Rings

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

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