UCSF

ZINC19735675

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 14 No

CAS Number: 2590-05-8

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) -1.29 3.42 -33.79 1 4 0 67 208.242 2

Vendor Notes

Note Type Comments Provided By
MP 71-75° Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US4940730 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.