UCSF

ZINC05529987

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 20 No

CAS Number: 434-22-0

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) 3.00 6.74 -7.28 1 2 0 37 274.404 0

Vendor Notes

Note Type Comments Provided By
MP 124 TCI
PUBCHEM_PATENT_ID WO1995002424A1 IBM Patent Data

Activity (Go SEA)

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

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