UCSF

ZINC62989900

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 14 Yes

Popular Name: 2-[4-(cyclopropanecarboximidoyl)piperazin-1-yl]ethanol 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) 0.15 0.5 -28.72 3 4 1 52 198.29 4 ↓
Lo Low (pH 4.5-6) 0.15 2.81 -89.62 4 4 2 53 199.298 4 ↓

Activity (Go SEA)

Rings

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

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