UCSF

ZINC67446572

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 26 Yes

Popular Name: 2-[[(3S)-3-hydroxy-1-[(4-isopropylphenyl)methyl]-2-oxo-3-piperidyl]methyl-methyl-amino]-N-methyl-ace 2-[[(3S)-3-hydroxy-1-[(4-isoprop…

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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) 2.04 6.62 -37.61 3 6 1 74 362.494 7 ↓
Hi High (pH 8-9.5) 2.04 4.49 -11.56 2 6 0 73 361.486 7 ↓

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

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