UCSF

ZINC13520048

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 22 No

Popular Name: Tricetin Tricetin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1621-84-7 , 520-31-0

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) 1.68 -3.11 -15.2 5 7 0 131 302.238 1 ↓
Mid Mid (pH 6-8) 1.94 -2.82 -47.28 4 7 -1 134 301.23 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.84e-01 g/l DrugBank-experimental
M.P. 355-360 C Indofine
MP 356-360o C Indofine
UniProt Database Links FOMT1_WHEAT; FOMT2_WHEAT; OMT15_ORYSJ; OMT17_ORYSJ ChEBI
SOLUBILITY Soluble in Methanol Indofine
APPEARANCE Yellow crystals Indofine

Activity (Go SEA)

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