UCSF

ZINC79243263

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2012 21 Yes

CAS Number: 73097-00-4

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) 5.42 13.6 -5.24 0 2 0 26 290.447 13

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0904072A1; WO1997038688A1 IBM Patent Data

Activity (Go SEA)

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

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