UCSF

ZINC38150154

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 28 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) -0.74 -3.37 -11.16 4 10 0 154 392.412 8
Mid Mid (pH 6-8) -0.74 -1.95 -51.74 5 10 1 149 393.42 8
Mid Mid (pH 6-8) -0.74 -3.36 -11.97 4 10 0 154 392.412 8

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 5300 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81247 Z81247 HeLa (Cervical Adenocarcinoma Cells) 5300 0.26 Functional ≤ 10μM

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