UCSF

ZINC26178626

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 30 Yes

Popular Name: 2-[[(cyclopropylmethyl-ethyl-amino)-dihydroxy-methyl-BLAHyl]amino]acetic 2-[[(cyclopropylmethyl-ethyl-ami…

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Download: MOL2 SDF SMILES Flexibase

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) 1.08 5.95 -82.07 5 7 1 111 417.526 7 ↓

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 37 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50512 Z50512 Cavia Porcellus 37 0.35 Functional ≤ 10μM

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