UCSF

ZINC67934879

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 26 Yes

Popular Name: 5-[[(3R)-3-hydroxy-1-(2-methoxyethyl)-2-oxo-3-piperidyl]methyl]-N-methyl-2,4,6,7-tetrahydropyrazolo[ 5-[[(3R)-3-hydroxy-1-(2-methoxye…

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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) -1.07 1.78 -35.3 4 9 1 112 366.442 6 ↓
Mid Mid (pH 6-8) -1.07 0.71 -18.73 3 9 0 111 365.434 6 ↓

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

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