UCSF

ZINC53929266

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 17 Yes

Popular Name: (2S)-2-[[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]methyl]cycloheptanone (2S)-2-[[methyl-[[(2S)-tetrahydr…

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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) 2.17 7.46 -36.49 1 3 1 31 240.367 4 ↓
Hi High (pH 8-9.5) 2.17 5.33 -7.7 0 3 0 30 239.359 4 ↓

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

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