UCSF

ZINC17314128

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 9 No

CAS Number: 5837-78-5

Other Names:

Ethyl Tiglate

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) 1.99 5.01 -4.59 0 2 0 26 128.171 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000067757A1 IBM Patent Data

Activity (Go SEA)

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