UCSF

ZINC04252725

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 20 No

Other Names:

MFCD05861586

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) 3.83 2.44 -11.97 0 3 0 35 268.312 5

Vendor Notes

Note Type Comments Provided By
M.P. 124.5-126 C Indofine
MP 124.5-126o C Indofine
APPEARANCE Cream color shining powder Indofine
SOLUBILITY Soluble in Chloroform Indofine

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-3-O Homo Sapiens (cluster #3 Of 9), Other Other 1150 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50587 Z50587 Homo Sapiens 1150 0.42 Functional ≤ 10μM

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