UCSF

ZINC71567160

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 29 Yes

Popular Name: (7S)-2-[(4-hydroxy-5-isobutoxy-2-pyridyl)methylsulfanyl]-7-methyl-5,6,7,8-tetrahydro-3H-benzothiophe (7S)-2-[(4-hydroxy-5-isobutoxy-2…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.60 9.73 -28.69 2 6 0 88 431.583 6 ↓
Mid Mid (pH 6-8) 5.05 8.36 -54.46 1 6 -1 91 430.575 6 ↓

Activity (Go SEA)

Rings

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

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