UCSF

ZINC53929844

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 21 Yes

Popular Name: (2S,4S)-2-[[[(1S)-1-cyclopropylethyl]-(2-methoxyethyl)amino]methyl]-4-propyl-cyclohexanone (2S,4S)-2-[[[(1S)-1-cyclopropyle…

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) 3.73 9.86 -35.61 1 3 1 31 296.475 9 ↓
Hi High (pH 8-9.5) 3.73 7.83 -7.48 0 3 0 30 295.467 9 ↓

Activity (Go SEA)

Rings

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

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