UCSF

ZINC21982295

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 22 No

Other Names:

MFCD09750967

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) 4.97 6.89 -11.9 1 4 0 51 297.354 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0774453A1; US5767316; US5902887 IBM Patent Data

Activity (Go SEA)

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