UCSF

ZINC04217690

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 21 No

CAS Number: 6157-87-5

Other Names:

MFCD00271620

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) 3.48 -0.45 -7.32 1 2 0 37 288.431 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1054998A1; WO1999030690A1; WO1999036570A2; WO2000059941A1 IBM Patent Data

Activity (Go SEA)

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