UCSF

ZINC55008631

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 22 No

Popular Name: 6-amino-3-(tert-butyl)-4-(3-pyridinyl)-4,7-dihydroisoxazolo[5,4-b]pyridine-5-carbonitrile 6-amino-3-(tert-butyl)-4-(3-pyri…

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Other Names:

MFCD01648170

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) 1.19 4.36 -10.47 3 6 0 101 295.346 2 ↓
Hi High (pH 8-9.5) 2.30 3.73 -17.55 3 6 0 100 296.354 2 ↓
Hi High (pH 8-9.5) 2.17 2.93 -19.9 2 6 0 101 295.346 2 ↓

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

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