UCSF

ZINC53929245

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2R,4S)-4-ethyl-2-[[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]methyl]cyclohexanone (2R,4S)-4-ethyl-2-[[methyl-[[(2S…

Find On: PubMed — Wikipedia — Google

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) 2.36 8.38 -33.53 1 3 1 31 254.394 5 ↓
Hi High (pH 8-9.5) 2.36 6.43 -7.65 0 3 0 30 253.386 5 ↓

Activity (Go SEA)

Rings

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

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