UCSF

ZINC62935942

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 19 Yes

Popular Name: (3S)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(imidazo[1,2-a]pyrimidin-…

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) 0.41 9.67 -51.3 1 6 0 75 260.297 3 ↓
Hi High (pH 8-9.5) 0.41 7.15 -55.98 0 6 -1 74 259.289 3 ↓

Activity (Go SEA)

Rings

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

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