UCSF

ZINC48630890

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 15 Yes

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

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) -2.32 1.79 -37.89 4 6 0 96 206.253 4 ↓
Hi High (pH 8-9.5) -2.32 1.95 -10.39 4 6 0 96 206.253 4 ↓
Hi High (pH 8-9.5) -2.32 2.42 -30.46 4 6 0 96 206.253 4 ↓
Mid Mid (pH 6-8) -2.32 2.42 -30.48 4 6 0 96 206.253 4 ↓
Mid Mid (pH 6-8) -2.32 2.56 -31.93 5 6 1 98 207.261 4 ↓
Mid Mid (pH 6-8) -2.32 1.89 -50.63 5 6 1 98 207.261 4 ↓
Mid Mid (pH 6-8) -2.32 2.52 -38.18 5 6 1 98 207.261 4 ↓
Lo Low (pH 4.5-6) -2.32 2.33 -113.28 6 6 2 99 208.269 4 ↓
Lo Low (pH 4.5-6) -2.32 2.36 -101.9 6 6 2 99 208.269 4 ↓

Activity (Go SEA)

Rings

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

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