UCSF

ZINC00058118

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) 3.54 8.55 -11.93 0 5 0 58 312.321 4

Vendor Notes

Note Type Comments Provided By
MP 164 167o C Indofine
M.P. 164-167 C Indofine
Melting_Point 165-167? Alfa-Aesar
Melting_Point 165-167° Alfa-Aesar
APPEARANCE Creamy white crystalline powder Indofine

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80188-1-O KB 3-1 (Cervical Epithelial Carcinoma Cells) (cluster #1 Of 2), Other Other 5500 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80188 Z80188 KB 3-1 (Cervical Epithelial Carcinoma Cells) 5500 0.32 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.