UCSF

ZINC13648976

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 29 No

Popular Name: (2S)-2-amino-5-[[(1S)-1-[[(1S)-1-carboxy-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-5-oxo-pe (2S)-2-amino-5-[[(1S)-1-[[(1S)-1…

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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) -4.95 0.87 -113.81 10 12 0 232 416.479 14 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GSP-1-E Glutathionylspermidine Synthase (cluster #1 Of 1), Eukaryotic Eukaryotes 9400 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GSP_CRIFA P90518 Glutathionylspermidine Synthase, Crifa 6400 0.25 Binding ≤ 10μM

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