UCSF

ZINC00747363

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 39 Yes

Popular Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-morpholinoethylcarbamoyl)phenyl]-piperonylamide N-[4-(3,4-dihydro-1H-isoquinolin…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.21 8.45 -18.89 2 9 0 92 528.609 7 ↓
Mid Mid (pH 6-8) 3.21 10.71 -59.27 3 9 1 94 529.617 7 ↓

Activity (Go SEA)

Rings

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

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