UCSF

ZINC67741767

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 26 Yes

Popular Name: (2S)-2-amino-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]propan-1-one (2S)-2-amino-1-[3-(4-phenylpheny…

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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) 2.43 7.64 -56.59 3 5 1 74 348.426 3 ↓
Mid Mid (pH 6-8) 2.43 7.3 -14.45 2 5 0 72 347.418 3 ↓

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Rings

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

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