UCSF

ZINC67954893

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 24 Yes

Popular Name: (2S,4R)-4-amino-N,N-diethyl-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxamide (2S,4R)-4-amino-N,N-diethyl-1-(p…

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) -0.66 4.34 -73.09 3 8 1 98 331.4 4 ↓
Hi High (pH 8-9.5) -0.66 4.05 -23.58 2 8 0 97 330.392 4 ↓

Activity (Go SEA)

Rings

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

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