UCSF

ZINC70197121

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 21 Yes

Popular Name: 2-[2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-5-methyl-isoxazol-3-one 2-[2-(5-amino-3,4-dihydro-1H-iso…

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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) 0.89 4.55 -19.74 2 6 0 81 287.319 2 ↓
Mid Mid (pH 6-8) 0.89 6.76 -51.84 3 6 1 83 288.327 2 ↓

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

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