UCSF

ZINC69090802

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2R)-3-(azocan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoic (2R)-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) 0.61 9.86 -62.61 3 4 1 61 281.42 6 ↓
Hi High (pH 8-9.5) 0.61 9.27 -35.77 2 4 0 57 280.412 6 ↓
Hi High (pH 8-9.5) 0.61 8.85 -32.4 2 4 0 60 280.412 6 ↓

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

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