UCSF

ZINC03860441

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 24 No

Popular Name: Esculin Esculin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1217453-54-7 , 531-75-9 , 66778-17-4

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) -0.99 -5.72 -14.13 5 9 0 150 340.284 3 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 203 - 205 Acros Organics
Melting_Point 203-205? Alfa-Aesar
Melting_Point 203-205° Alfa-Aesar
Therapy antiinflammatory SMDC MicroSource
UniProt Database Links HGGL_SECCE; HGL1A_WHEAT; HGL1B_WHEAT; HGL1C_WHEAT; HGL1D_WHEAT; SUC9_ARATH ChEBI
Target Others Selleck Chemicals
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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