UCSF

ZINC03875620

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 23 No

Popular Name: RHAMNETIN RHAMNETIN

Find On: PubMed — Wikipedia — Google

CAS Numbers: 90-19-7 , CAS# 90-19-7 , [90-19-7]

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) 2.22 -0.74 -12.4 4 7 0 120 316.265 2 ↓
Hi High (pH 8-9.5) 2.22 0.25 -52.59 3 7 -1 123 315.257 2 ↓
Mid Mid (pH 6-8) 2.22 -0.4 -54.62 3 7 -1 123 315.257 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 290-296o C Indofine
M.P. 293-296 C (dec) Indofine
UniProt Database Links F3ST_FLABI; F3ST_FLACH ChEBI
SOLUBILITY Soluble in Toluene/ethyl formate/formic acid Indofine
APPEARANCE Yellow powder Indofine

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 7800 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81247 Z81247 HeLa (Cervical Adenocarcinoma Cells) 7800 0.31 Functional ≤ 10μM

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

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