UCSF

ZINC67446727

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 26 Yes

Popular Name: 2-[3-(4-chlorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-1-(4-methylpiperazin-1-yl)ethanon 2-[3-(4-chlorophenyl)-6,7-dihydr…

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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) 2.03 7.98 -51.36 1 6 1 54 375.88 3 ↓
Hi High (pH 8-9.5) 2.03 5.64 -12.39 0 6 0 53 374.872 3 ↓
Mid Mid (pH 6-8) 2.03 7.82 -53.51 1 6 1 54 375.88 3 ↓
Mid Mid (pH 6-8) 2.03 10.16 -114.67 2 6 2 55 376.888 3 ↓

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Rings

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

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