UCSF

ZINC02583211

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 27 Yes

CAS Numbers: 1283766-23-3 , [1217830-18-6]

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) 0.51 10.83 -129.33 1 7 -2 119 367.357 7
Lo Low (pH 4.5-6) 0.51 8.84 -62.39 2 7 -1 116 368.365 7

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1993009135A1 IBM Patent Data

Activity (Go SEA)

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