UCSF

ZINC66122863

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 33 Yes

Popular Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-6-(benzyloxycarbonylamino)hexanoic (2S)-2-[[(2S,3R)-3-amino-2-hydro…

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) -0.51 6.45 -57.77 6 9 0 155 457.527 14 ↓
Hi High (pH 8-9.5) -0.51 6.96 -71 5 9 -1 158 456.519 14 ↓
Mid Mid (pH 6-8) -0.51 6.26 -53.51 5 9 -1 154 456.519 14 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMP1-1-E Zinc Aminopeptidase (cluster #1 Of 1), Eukaryotic Eukaryotes 1450 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMP1_PLAFQ O96935 Zinc Aminopeptidase, Plafq 1450 0.25 Binding ≤ 10μM

Rings

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

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