UCSF

ZINC67946742

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 25 Yes

Popular Name: 3-[[3-chloro-4-[(1S)-1-methylpropoxy]phenyl]methyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[[3-chloro-4-[(1S)-1-methylpro…

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) 2.86 5.8 -37.56 3 5 1 55 366.913 5 ↓
Hi High (pH 8-9.5) 2.86 3.56 -7.73 2 5 0 54 365.905 5 ↓

Activity (Go SEA)

Rings

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

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