UCSF

ZINC02034814

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 25 No

CAS Number: 545-80-2

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) -1.39 2.65 -34.59 1 4 1 46 340.443 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0052074A2; EP0403048A2; EP1054998A1; US3102845; US4207890; WO1997044063A2; WO1998011888A1; WO1999030690A1; WO1999036570A2 IBM Patent Data

Activity (Go SEA)

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