UCSF

ZINC00260470

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

CAS Number: 1161601-91-7

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) -0.28 6.11 -56.11 0 5 -1 70 214.241 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0273399A1; EP0273399B1; US4895944 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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