UCSF

ZINC53927017

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2R)-2-[[cyclopentyl(ethyl)amino]methyl]cycloheptanone (2R)-2-[[cyclopentyl(ethyl)amino…

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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) 3.58 9.32 -32.75 1 2 1 22 238.395 4 ↓
Hi High (pH 8-9.5) 3.58 7.46 -4.55 0 2 0 20 237.387 4 ↓

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

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