UCSF

ZINC58343673

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 23 No

Popular Name: (1S)-2-[(1,1-dioxo-2H-benzo[e][1,2,4]thiadiazin-3-yl)methylsulfanyl]-1-phenyl-ethanol (1S)-2-[(1,1-dioxo-2H-benzo[e][1…

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) 2.15 4.57 -26.2 2 5 0 79 348.449 5 ↓
Mid Mid (pH 6-8) 2.15 4.16 -43.73 1 5 -1 81 347.441 5 ↓

Activity (Go SEA)

Rings

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

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