UCSF

ZINC62793177

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 20 Yes

Popular Name: [4-(3-azaspiro[5.5]undecan-3-yl)-3-chloro-phenyl]methanamine [4-(3-azaspiro[5.5]undecan-3-yl)…

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) 4.22 8.46 -46.03 3 2 1 31 293.862 2 ↓
Hi High (pH 8-9.5) 4.22 8.06 -2.21 2 2 0 29 292.854 2 ↓

Activity (Go SEA)

Rings

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

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