UCSF

ZINC67934277

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 4-[[(3R)-3-hydroxy-2-oxo-1-phenethyl-3-piperidyl]methyl]-1,4-diazepan-2-one 4-[[(3R)-3-hydroxy-2-oxo-1-phene…

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) 1.06 5.55 -40.91 3 6 1 74 346.451 5 ↓
Hi High (pH 8-9.5) 1.06 4.62 -17.1 2 6 0 73 345.443 5 ↓

Activity (Go SEA)

Rings

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

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