UCSF

ZINC69464328

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 24 Yes

Popular Name: 5-isopropyl-N,N,2-trimethyl-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)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) 1.71 9.84 -109.14 3 7 2 69 329.452 6 ↓
Hi High (pH 8-9.5) 1.71 8.47 -35.08 2 7 1 65 328.444 6 ↓
Hi High (pH 8-9.5) 1.71 8.29 -15.58 1 7 0 63 327.436 6 ↓
Mid Mid (pH 6-8) 1.71 9.69 -54.32 2 7 1 68 328.444 6 ↓

Activity (Go SEA)

Rings

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

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