UCSF

ZINC20528773

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 25 No

Popular Name: (4S,8E)-2-amino-6-methyl-4-(2-thienyl)-8-(2-thienylmethylene)-5,7-dihydro-4H-pyrano[5,6-c]pyridine-3 (4S,8E)-2-amino-6-methyl-4-(2-th…

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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) 3.68 6.09 -9.01 2 4 0 62 367.499 2 ↓
Lo Low (pH 4.5-6) 3.68 6.53 -51.29 3 4 1 64 368.507 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80295-2-O MT4 (Lymphocytes) (cluster #2 Of 8), Other Other 9000 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80295 Z80295 MT4 (Lymphocytes) 9000 0.28 Functional ≤ 10μM

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