UCSF

ZINC59072810

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 13 Yes

CAS Number: 134792-45-3

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) 0.36 -1.57 -42.79 0 4 -1 66 180.114 0
Mid Mid (pH 6-8) -0.10 1.67 -7.01 1 4 0 63 181.122 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5387585 IBM Patent Data

Activity (Go SEA)

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

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