UCSF

ZINC69792550

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 Yes

Popular Name: N-[[(2S)-6-azaspiro[2.5]octan-2-yl]methyl]-1-(2-thienyl)methanamine N-[[(2S)-6-azaspiro[2.5]octan-2-…

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) 1.92 6.51 -101.86 4 2 2 33 238.4 4 ↓
Hi High (pH 8-9.5) 1.92 5.13 -41.08 3 2 1 29 237.392 4 ↓

Activity (Go SEA)

Rings

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

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