UCSF

ZINC38580966

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 20 No

CAS Number: 13276-43-2

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 -6.71 -56.05 3 9 -1 137 301.666 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0731807A1; US5459255; US5587469; US5808027; US6166199; WO1995014707A1 IBM Patent Data

Activity (Go SEA)

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