UCSF

ZINC13981125

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 31 Yes

Popular Name: bulin bulin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 849550-69-2 , 852954-81-5

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) 4.12 11.94 -50.88 3 7 1 81 465.834 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81115-2-O KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other Other 23 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81115 Z81115 KB (Squamous Cell Carcinoma) 23 0.34 Functional ≤ 10μM

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