UCSF

ZINC59817069

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 32 Yes

Popular Name: 5-[(2S)-2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-phenyl-2-(4-pyridyl)-[1,2,4]triazolo[1,5-a]pyri 5-[(2S)-2-(dimethylamino)pyrroli…

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) 4.03 12.23 -10.79 0 7 0 73 423.524 4 ↓
Mid Mid (pH 6-8) 4.03 15.17 -43.81 1 7 1 75 424.532 4 ↓
Lo Low (pH 4.5-6) 4.03 15.62 -88.81 2 7 2 76 425.54 4 ↓

Activity (Go SEA)

Rings

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

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