UCSF

ZINC53299245

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 19 Yes

Popular Name: 3-isoindolin-2-yl-1-piperazin-1-yl-propan-1-one 3-isoindolin-2-yl-1-piperazin-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) 0.25 6.6 -103.26 3 4 2 41 261.369 3 ↓
Hi High (pH 8-9.5) 0.25 2.74 -8.21 1 4 0 36 259.353 3 ↓
Mid Mid (pH 6-8) 0.25 5.31 -43.67 2 4 1 37 260.361 3 ↓
Mid Mid (pH 6-8) 0.25 4.05 -50.06 2 4 1 40 260.361 3 ↓

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Rings

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

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