UCSF

ZINC67726916

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 27 Yes

Popular Name: 3-(1-naphthyl)-5-[(2S)-2-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 3-(1-naphthyl)-5-[(2S)-2-(1,2,4-…

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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) 2.78 13.33 -56.67 1 6 1 61 360.441 4 ↓
Mid Mid (pH 6-8) 2.78 11.35 -14.15 0 6 0 60 359.433 4 ↓

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

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