UCSF

ZINC62566584

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 37 No

Popular Name: 1-[2-[[benzyl-[2-(benzylcarbamoylamino)-2-oxo-ethyl]carbamoyl]amino]-2-oxo-ethyl]piperidine-4-carbox 1-[2-[[benzyl-[2-(benzylcarbamoy…

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) 2.47 13.01 -89.44 4 11 0 152 509.563 9 ↓
Hi High (pH 8-9.5) 2.47 10.84 -80.54 3 11 -1 151 508.555 9 ↓

Activity (Go SEA)

Rings

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

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