UCSF

ZINC67966282

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 23 Yes

Popular Name: 3-[2-(3-chloro-4-hydroxy-phenyl)acetyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[2-(3-chloro-4-hydroxy-phenyl)…

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) 1.07 0.44 -16.37 3 6 0 82 337.807 2 ↓
Hi High (pH 8-9.5) 1.07 1.2 -56.08 2 6 -1 84 336.799 2 ↓
Mid Mid (pH 6-8) 1.07 1.59 -62.37 4 6 1 86 338.815 2 ↓

Activity (Go SEA)

Rings

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

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