UCSF

ZINC67754330

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 26 Yes

Popular Name: (2S)-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]propanoic (2S)-2-[3-(4-phenylphenyl)-6,7-d…

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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) 2.02 12.08 -35.3 1 5 0 71 348.402 4 ↓
Mid Mid (pH 6-8) 2.02 10.01 -46.67 0 5 -1 69 347.394 4 ↓

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

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