UCSF

ZINC36383287

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 30 Yes

Popular Name: ethyl 2-{[2-(4-phenylpiperazino)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate ethyl 2-{[2-(4-phenylpiperazino)…

Find On: PubMed — Wikipedia — Google

CAS Number: 833439-05-7

Other Names:

MFCD03305774

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) 4.20 9.99 -10.98 1 6 0 62 427.57 7 ↓

Vendor Notes

Note Type Comments Provided By
mp 111 MolMall (formerly Molecular Diversity Preservation International)
melting_point 177 - 179 KeyOrganics

Activity (Go SEA)

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