UCSF

ZINC20130768

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 31 Yes

Popular Name: N-[3-(4-ethylpiperazin-1-yl)propyl]-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide N-[3-(4-ethylpiperazin-1-yl)prop…

Find On: PubMed — Wikipedia — Google

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) 0.51 6.57 -63.94 3 8 1 88 428.557 10 ↓
Hi High (pH 8-9.5) 0.51 4.26 -31.95 2 8 0 87 427.549 10 ↓
Mid Mid (pH 6-8) 0.51 6.57 -68.42 3 8 1 88 428.557 10 ↓

Activity (Go SEA)

Rings

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

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