UCSF

ZINC04100765

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 24 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) 3.89 2.51 -12.71 0 5 0 54 328.364 7

Vendor Notes

Note Type Comments Provided By
MP 118-120o C Indofine
M.P. mp 118-120 C Indofine
SOLUBILITY Soluble in Chloroform Indofine
APPEARANCE Yellow powder Indofine

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 4600 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50587 Z50587 Homo Sapiens 4600 0.31 Functional ≤ 10μM

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