UCSF

ZINC06093206

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 21 No

CAS Number: 479-54-9

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) 1.65 -5.24 -13.31 4 6 0 107 288.255 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0742012A2 IBM Patent Data

Activity (Go SEA)

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