UCSF

ZINC69091008

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 20 Yes

Popular Name: (2S)-3-(azocan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide (2S)-3-(azocan-1-yl)-2-cycloprop…

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) 2.07 5.53 -37.42 4 4 1 60 280.436 6 ↓
Lo Low (pH 4.5-6) 2.07 6.61 -104.93 5 4 2 64 281.444 6 ↓

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

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