UCSF

ZINC52542452

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 Yes

Popular Name: N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2-methoxyethyl)cyclopropanamine N-[2-[4-(ethylaminomethyl)triazo…

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) 0.41 5.12 -90.44 3 6 2 61 269.393 10 ↓
Hi High (pH 8-9.5) 0.41 2.96 -42.51 2 6 1 60 268.385 10 ↓

Activity (Go SEA)

Rings

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

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