UCSF

ZINC52424262

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 21 Yes

Popular Name: 2-methyl-N-[[1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine 2-methyl-N-[[1-[2-(4-methyl-1,4-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.03 7.27 -180.19 4 6 3 56 297.471 6 ↓
Hi High (pH 8-9.5) 1.03 5.45 -83.42 3 6 2 55 296.463 6 ↓
Hi High (pH 8-9.5) 1.03 4.85 -90.65 3 6 2 55 296.463 6 ↓
Hi High (pH 8-9.5) 1.03 2.91 -37.91 2 6 1 54 295.455 6 ↓

Activity (Go SEA)

Rings

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

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