UCSF

ZINC03860410

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 9 No

Other Names:

MFCD00001583

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) 1.70 5.09 -6.39 0 1 0 17 124.183 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0100156A2; EP0253374A1; US4640705 IBM Patent Data

Activity (Go SEA)

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