UCSF

ZINC38423106

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 26 No

CAS Number: [10391-09-0]

Other Names:

MFCD20261062

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) 1.40 3.06 -17.26 2 6 0 93 362.422 0

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80186-4-O K562 (Erythroleukemia Cells) (cluster #4 Of 11), Other Other 540 0.34 Functional ≤ 10μM
Z81020-2-O HepG2 (Hepatoblastoma Cells) (cluster #2 Of 8), Other Other 1920 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81020 Z81020 HepG2 (Hepatoblastoma Cells) 1920 0.31 Functional ≤ 10μM
Z80186 Z80186 K562 (Erythroleukemia Cells) 540 0.34 Functional ≤ 10μM

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