UCSF

ZINC62953710

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 Yes

Popular Name: (1R,2R,4S)-2-(8-azaspiro[4.5]decan-8-yl)-N,4-dimethyl-cyclohexanamine (1R,2R,4S)-2-(8-azaspiro[4.5]dec…

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) 3.41 9.2 -115.54 3 2 2 21 266.473 2 ↓
Hi High (pH 8-9.5) 3.41 8.08 -28.86 2 2 1 16 265.465 2 ↓
Hi High (pH 8-9.5) 3.41 7.4 -34.66 2 2 1 20 265.465 2 ↓

Activity (Go SEA)

Rings

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

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