UCSF

ZINC62321441

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 19 Yes

Popular Name: (1S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-phenyl-propan-1-amine (1S)-3-(6,8-dihydro-5H-imidazo[1…

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) -0.85 5.43 -93.71 4 4 2 50 258.369 4 ↓
Hi High (pH 8-9.5) -0.85 4.97 -55.82 3 4 1 49 257.361 4 ↓
Hi High (pH 8-9.5) -0.85 5.13 -28.03 3 4 1 48 257.361 4 ↓

Activity (Go SEA)

Rings

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

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