UCSF

ZINC69850215

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 13 Yes

Popular Name: 1-[(1S,3R)-3-methoxycyclohexyl]azetidin-3-amine 1-[(1S,3R)-3-methoxycyclohexyl]a…

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) 0.20 -0.5 -45.83 3 3 1 40 185.291 2 ↓
Hi High (pH 8-9.5) 0.20 -0.83 -2.86 2 3 0 38 184.283 2 ↓
Lo Low (pH 4.5-6) 0.20 2.31 -33.49 3 3 1 40 185.291 2 ↓
Lo Low (pH 4.5-6) 0.20 2.63 -120.46 4 3 2 41 186.299 2 ↓

Activity (Go SEA)

Rings

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

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