UCSF

ZINC43177324

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2010 30 No

Popular Name: io- io-

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CAS Number: 949575-24-0

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) -1.60 10.17 -186.56 4 10 -2 178 533.319 14 ↓
Lo Low (pH 4.5-6) -1.60 8.19 -126.08 5 10 -1 175 534.327 14 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FOLH1-1-E Glutamate Carboxypeptidase II (cluster #1 Of 2), Eukaryotic Eukaryotes 22 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FOLH1_HUMAN Q04609 Glutamate Carboxypeptidase II, Human 22 0.36 Binding ≤ 1μM
FOLH1_HUMAN Q04609 Glutamate Carboxypeptidase II, Human 22 0.36 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.