UCSF

ZINC67973946

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 26 Yes

Popular Name: (2S)-2-(dimethylamino)-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-(m-tolyl)ethanone (2S)-2-(dimethylamino)-1-(1,9-di…

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) 2.08 8.13 -38.46 1 5 1 31 359.538 3 ↓
Lo Low (pH 4.5-6) 2.08 11.4 -171.34 3 5 3 34 361.554 3 ↓
Lo Low (pH 4.5-6) 2.08 9.31 -107.46 2 5 2 32 360.546 3 ↓
Lo Low (pH 4.5-6) 2.08 10.25 -77.3 2 5 2 32 360.546 3 ↓

Activity (Go SEA)

Rings

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

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