UCSF

ZINC29228068

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 41 No

Popular Name: (2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acety (2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(…

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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) -0.38 -0.67 -61.11 10 12 1 207 587.723 16 ↓
Hi High (pH 8-9.5) -0.38 -1 -26.98 9 12 0 206 586.715 16 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 3 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50512 Z50512 Cavia Porcellus 2.5 0.29 Functional ≤ 10μM

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