UCSF

ZINC69700725

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 23 Yes

Popular Name: 3-[[methyl-[[(6S)-6-methyl-2-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl]methyl]amino]methyl]benzon 3-[[methyl-[[(6S)-6-methyl-2-oxo…

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) 3.24 8.72 -11.22 0 4 0 49 327.453 4 ↓
Lo Low (pH 4.5-6) 3.24 11.27 -52.41 1 4 1 50 328.461 4 ↓

Activity (Go SEA)

Rings

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

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