UCSF

ZINC13604282

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 20 Yes

Popular Name: LS-191252 LS-191252

Find On: PubMed — Wikipedia — Google

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) 0.89 7.1 -264.18 8 4 4 66 290.54 17 ↓
Hi High (pH 8-9.5) 0.89 4.41 -80.43 6 4 2 57 288.524 17 ↓
Hi High (pH 8-9.5) 0.89 4.41 -85.39 6 4 2 57 288.524 17 ↓
Mid Mid (pH 6-8) 0.89 5.75 -160.48 7 4 3 62 289.532 17 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-7-O L1210 (Lymphocytic Leukemia Cells) (cluster #7 Of 12), Other Other 3000 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 200 0.47 Functional ≤ 10μM

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