UCSF

ZINC27200299

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 46 No

Popular Name: N-[(1R)-2-[[(1R)-2-[[(1S)-5-amino-1-carbamoyl-pentyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-(2-naphthy N-[(1R)-2-[[(1R)-2-[[(1S)-5-amin…

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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) 2.42 6.37 -121.89 11 10 2 186 624.786 16 ↓
Hi High (pH 8-9.5) 2.42 5.98 -71.14 10 10 1 184 623.778 16 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 110 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 110 0.21 Functional ≤ 10μM

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