UCSF

ZINC53929306

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 19 Yes

Popular Name: (2R,4S)-2-[[cyclopropyl(3-thienylmethyl)amino]methyl]-4-methyl-cyclohexanone (2R,4S)-2-[[cyclopropyl(3-thieny…

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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) 2.65 10.17 -35.9 1 2 1 22 278.441 5 ↓
Hi High (pH 8-9.5) 2.65 8.27 -4.38 0 2 0 20 277.433 5 ↓

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

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