UCSF

ZINC08767446

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 25 Yes

Popular Name: N-(3-hydroxypropyl)-4-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanamide N-(3-hydroxypropyl)-4-[(4-oxo-3,…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD01925722

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) 2.68 3.43 -19.49 3 6 0 95 381.523 8 ↓
Hi High (pH 8-9.5) 3.14 2.07 -51.69 2 6 -1 98 380.515 8 ↓

Activity (Go SEA)

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