UCSF

ZINC37717973

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 21 Yes

Popular Name: N-[(2-phenyltriazol-4-yl)methyl]-2-(3-pyridyl)ethanamine N-[(2-phenyltriazol-4-yl)methyl]…

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) 1.49 5.69 -10.49 1 5 0 56 279.347 6 ↓
Lo Low (pH 4.5-6) 1.49 7.51 -105.34 3 5 2 61 281.363 6 ↓
Lo Low (pH 4.5-6) 1.49 7.04 -51.51 2 5 1 60 280.355 6 ↓

Activity (Go SEA)

Rings

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

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