UCSF

ZINC53927256

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 16 Yes

Popular Name: (2S)-2-[[[(1S)-1-cyclopropylethyl]-methyl-amino]methyl]cycloheptanone (2S)-2-[[[(1S)-1-cyclopropylethy…

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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) 3.00 8.7 -33.42 1 2 1 22 224.368 4 ↓
Hi High (pH 8-9.5) 3.00 6.73 -4.72 0 2 0 20 223.36 4 ↓

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

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