UCSF

ZINC62987856

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 16 Yes

Popular Name: 2-[4-(cyclopropanecarboximidoyl)piperazin-1-yl]-N,N-dimethyl-ethanamine 2-[4-(cyclopropanecarboximidoyl)…

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) 0.81 5.13 -76.23 3 4 2 37 226.368 5 ↓
Hi High (pH 8-9.5) 0.81 2.65 -27.79 2 4 1 35 225.36 5 ↓

Activity (Go SEA)

Rings

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

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