UCSF

ZINC67954725

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 28 Yes

Popular Name: N-[[2-[(3R)-3-hydroxy-1-piperidyl]-3-pyridyl]methyl]-3,6-dimethyl-isoxazolo[5,4-b]pyridine-4-carboxa N-[[2-[(3R)-3-hydroxy-1-piperidy…

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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) 0.92 3.01 -52.2 3 8 1 106 382.444 4 ↓
Mid Mid (pH 6-8) 0.92 2.53 -15.73 2 8 0 104 381.436 4 ↓

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

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