UCSF

ZINC42029937

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 16 Yes

Popular Name: (1R)-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-(1H-imidazol-4-yl)ethanamine (1R)-1-(4-ethyl-5-methyl-1,2,4-t…

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) -2.45 4.74 -37.89 4 6 1 87 221.288 4 ↓
Hi High (pH 8-9.5) -2.45 4.11 -14.2 3 6 0 85 220.28 4 ↓
Lo Low (pH 4.5-6) -2.45 4.54 -113.25 5 6 2 88 222.296 4 ↓

Activity (Go SEA)

Rings

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

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