UCSF

ZINC52449103

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 16 Yes

Popular Name: N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-propyl-cyclopropanamine N-[2-[4-(aminomethyl)triazol-1-y…

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) 0.55 3.97 -96.31 4 5 2 63 225.34 7 ↓
Hi High (pH 8-9.5) 0.55 3.57 -42.85 3 5 1 61 224.332 7 ↓

Activity (Go SEA)

Rings

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

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