UCSF

ZINC65170171

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 32 Yes

Popular Name: (1S)-2-benzyl-1-[4-(2-pyridyl)piperazine-1-carbonyl]-1,4-dihydroisoquinolin-3-one (1S)-2-benzyl-1-[4-(2-pyridyl)pi…

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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) 2.68 13.19 -35.81 1 6 1 58 427.528 4 ↓
Mid Mid (pH 6-8) 2.68 12.87 -9.78 0 6 0 57 426.52 4 ↓

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

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