UCSF

ZINC14243039

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 27 No

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) -0.70 -2.18 -10.96 4 9 0 145 394.453 7
Mid Mid (pH 6-8) -0.70 -0.69 -53.22 5 9 1 139 395.461 7
Mid Mid (pH 6-8) -0.70 -2.17 -11.8 4 9 0 145 394.453 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other Other 2200 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81247 Z81247 HeLa (Cervical Adenocarcinoma Cells) 2200 0.29 Functional ≤ 10μM

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