UCSF

ZINC65170403

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 31 Yes

Popular Name: (1R)-2-(2-methoxyethyl)-3-oxo-N-[[4-(1-piperidyl)phenyl]methyl]-1,4-dihydroisoquinoline-1-carboxamid (1R)-2-(2-methoxyethyl)-3-oxo-N-…

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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) 2.74 10.08 -16.19 1 6 0 62 421.541 7 ↓
Lo Low (pH 4.5-6) 2.74 10.72 -51.14 2 6 1 63 422.549 7 ↓

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

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