UCSF

ZINC34894476

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 38 Yes

Popular Name: 3-[3-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]-1-(2-phenyl-7-quinolyl)imidazo[1,5-a]pyrazin-8-amin 3-[3-[(4-methylpiperazin-1-yl)me…

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) 4.12 13.66 -45.54 3 7 1 77 504.662 5 ↓
Hi High (pH 8-9.5) 4.12 13.53 -45.97 3 7 1 77 504.662 5 ↓
Hi High (pH 8-9.5) 4.12 11.28 -16.56 2 7 0 76 503.654 5 ↓

Activity (Go SEA)

Rings

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

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