UCSF

ZINC67954573

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 26 Yes

Popular Name: 1-[(3R)-3-methyl-1-piperidyl]-3-(3-phenyl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl)propan-1-one 1-[(3R)-3-methyl-1-piperidyl]-3-…

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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) 2.88 11.03 -54.42 1 5 1 51 354.474 4 ↓
Mid Mid (pH 6-8) 2.88 8.71 -13.61 0 5 0 50 353.466 4 ↓

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Rings

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

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