UCSF

ZINC67539926

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 26 Yes

Popular Name: [5-[[(3S)-3-hydroxy-1-piperidyl]methyl]isoxazol-3-yl]-BLAHyl-methanone [5-[[(3S)-3-hydroxy-1-piperidyl]…

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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) 2.30 6.95 -41.65 2 6 1 71 360.478 3 ↓
Hi High (pH 8-9.5) 2.30 4.7 -7.01 1 6 0 70 359.47 3 ↓

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Rings

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

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