UCSF

ZINC54697421

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 17 Yes

Popular Name: (1S)-2-(1H-imidazol-4-yl)-1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)ethanamine (1S)-2-(1H-imidazol-4-yl)-1-(2-m…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.75 3.83 -41.75 4 6 1 87 235.315 5 ↓
Mid Mid (pH 6-8) -1.75 3.56 -9.47 3 6 0 85 234.307 5 ↓
Mid Mid (pH 6-8) -1.75 4.01 -44.12 4 6 1 87 235.315 5 ↓
Lo Low (pH 4.5-6) -1.75 4.38 -115.35 5 6 2 88 236.323 5 ↓

Activity (Go SEA)

Rings

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

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