UCSF

ZINC20235152

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 18 Yes

Popular Name: (2S)-N-(6-methyl-3-pyridyl)spiro[2.5]octane-2-carboxamide (2S)-N-(6-methyl-3-pyridyl)spiro…

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) 2.70 6.87 -9.15 1 3 0 42 244.338 2 ↓
Lo Low (pH 4.5-6) 2.70 7.26 -37.29 2 3 1 43 245.346 2 ↓

Activity (Go SEA)

Rings

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

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