UCSF

ZINC65517536

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 21 Yes

Popular Name: 5-isopropyl-N,N,2-trimethyl-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrazol-3-amine 5-isopropyl-N,N,2-trimethyl-4-[[…

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) 0.40 8.39 -51.73 2 7 1 68 292.411 6 ↓
Hi High (pH 8-9.5) 0.40 7.17 -32.77 2 7 1 65 292.411 6 ↓
Hi High (pH 8-9.5) 0.40 6.98 -13.21 1 7 0 64 291.403 6 ↓
Lo Low (pH 4.5-6) 0.40 8.51 -105.46 3 7 2 70 293.419 6 ↓

Activity (Go SEA)

Rings

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

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