UCSF

ZINC67742288

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 23 Yes

Popular Name: N-[(1S)-1-[1-(2-amino-2-oxo-ethyl)-3,6-dihydro-2H-pyridin-5-yl]-2-methyl-propyl]cyclohexanecarboxami N-[(1S)-1-[1-(2-amino-2-oxo-ethy…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.17 5.69 -51.24 4 5 1 77 322.473 6 ↓
Mid Mid (pH 6-8) 2.17 3.46 -12.53 3 5 0 75 321.465 6 ↓

Activity (Go SEA)

Rings

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

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