UCSF

ZINC49850478

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 11 No

Popular Name: N-hydroxy-N'-(o-tolyl)formamidine N-hydroxy-N'-(o-tolyl)formamidine

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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) 1.73 3.32 -34.05 3 3 1 46 151.189 2 ↓
Mid Mid (pH 6-8) 1.73 3.96 -6.34 2 3 0 45 150.181 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-3-O Homo Sapiens (cluster #3 Of 9), Other Other 3625 0.69 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50587 Z50587 Homo Sapiens 3625 0.69 Functional ≤ 10μM

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