UCSF

ZINC13142624

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 21 No

Popular Name: 3-[3-(dimethylamino)propyl]-2-mercapto-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one 3-[3-(dimethylamino)propyl]-2-me…

Find On: PubMed — Wikipedia — Google

CAS Number: 727702-60-5

Other Names:

MFCD04617888

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) 2.27 9.98 -35.91 2 4 1 42 324.495 4 ↓
Hi High (pH 8-9.5) 2.73 8.81 -42.31 1 4 0 45 323.487 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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