UCSF

ZINC65575836

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 24 Yes

Popular Name: (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[(3-isopropyl-5-methoxy-1-methyl-pyrazol-4-yl)methyl]p (2S)-2-[(2S,6S)-2,6-dimethylmorp…

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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) 2.26 5.22 -42.55 2 6 1 56 339.504 7 ↓
Hi High (pH 8-9.5) 2.26 3.45 -6.57 1 6 0 52 338.496 7 ↓
Lo Low (pH 4.5-6) 2.26 6.42 -121.66 3 6 2 57 340.512 7 ↓

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

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