UCSF

ZINC26730901

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 29 No

Popular Name: (4S)-4-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]-N,N-dime (4S)-4-[[(2S)-2-[[(2R)-2-[[(2S)-…

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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) -2.97 -0.18 -23.25 4 11 0 154 413.475 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50085-1-O Human Rhinovirus Sp. (cluster #1 Of 1), Other Other 340 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50085 Z50085 Human Rhinovirus Sp. 340 0.31 Functional ≤ 10μM

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