UCSF

ZINC00409381

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 13 Yes

Other Names:

MFCD00012395

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) -0.03 0.4 -39.85 4 3 1 57 182.243 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0914319A1; US4112225; US4187381; US4190587; US4211724; US4237276; US4256911; WO1997044329A1 IBM Patent Data

Activity (Go SEA)

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