UCSF

ZINC44994969

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 18 Yes

Popular Name: (3S,4S)-3-methyl-1-[(3-methylisoxazol-5-yl)methyl]-N-propyl-piperidin-4-amine (3S,4S)-3-methyl-1-[(3-methyliso…

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Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 2.22 6.3 -41.7 2 4 1 42 252.382 5 ↓
Hi High (pH 8-9.5) 2.21 5.07 -40.63 2 4 1 46 252.382 5 ↓
Mid Mid (pH 6-8) 2.22 7.31 -109.52 3 4 2 47 253.39 5 ↓

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

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