UCSF

ZINC21719842

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 28 Yes

Popular Name: 4-[[5-[[(2S)-2-(3,5-dimethylisoxazol-4-yl)pyrrolidin-1-yl]methyl]-2-methoxy-phenyl]methyl]morpholine 4-[[5-[[(2S)-2-(3,5-dimethylisox…

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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) 2.22 8.88 -42.19 1 6 1 52 386.516 6 ↓
Lo Low (pH 4.5-6) 2.22 11.21 -103.52 2 6 2 53 387.524 6 ↓

Activity (Go SEA)

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