UCSF

ZINC53924661

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 18 Yes

Popular Name: (2S)-2-[[cyclohexyl(ethyl)amino]methyl]cycloheptanone (2S)-2-[[cyclohexyl(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) 4.08 9.83 -32.84 1 2 1 22 252.422 4 ↓
Hi High (pH 8-9.5) 4.08 8 -4.61 0 2 0 20 251.414 4 ↓

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

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