UCSF

ZINC01000224

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 17 Yes

Popular Name: 4-(DiMethylaMino)stilbene 4-(DiMethylaMino)stilbene

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CAS Numbers: 1145-73-9 , 838-95-9

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) 4.60 2.18 -4.5 0 1 0 3 223.319 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 149 TCI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80963-1-O HNO 97 Cell Lines (cluster #1 Of 1), Other Other 150 0.56 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80963 Z80963 HNO 97 Cell Lines 150 0.56 Functional ≤ 10μM

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