UCSF

ZINC22699237

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 24 Yes

Popular Name: (3S)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-oxo-isochroman-3-carboxamide (3S)-N-(imidazo[1,2-a]pyridin-2-…

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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) 1.86 8.8 -23.72 1 6 0 73 321.336 3 ↓
Mid Mid (pH 6-8) 1.86 9.2 -50.12 2 6 1 74 322.344 3 ↓

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

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