UCSF

ZINC67934100

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 24 Yes

Popular Name: 2-[[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-c 2-[[(1S)-1-(2-methyl-1,2,4-triaz…

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) -0.20 3.53 -91.82 3 9 0 134 371.444 5 ↓
Hi High (pH 8-9.5) -0.20 2.02 -130.64 1 9 -2 131 369.428 5 ↓
Hi High (pH 8-9.5) -0.20 2.17 -64.38 2 9 -1 129 370.436 5 ↓
Lo Low (pH 4.5-6) -0.20 4.13 -121.28 4 9 1 135 372.452 5 ↓

Activity (Go SEA)

Rings

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

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