UCSF

ZINC62038965

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 33 No

Popular Name: 2-[[(7R)-7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2 2-[[(7R)-7-tert-butyl-4-oxo-5,6,…

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) 5.67 7.34 -21.41 3 9 0 141 488.591 6 ↓
Hi High (pH 8-9.5) 6.12 6.73 -90.83 1 9 -2 147 486.575 6 ↓
Mid Mid (pH 6-8) 5.67 8.11 -42.74 2 9 -1 144 487.583 6 ↓

Activity (Go SEA)

Rings

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

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