UCSF

ZINC02556514

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Other Names:

MFCD00190732

MFCD00190734

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) -1.86 -4.41 -72.58 4 5 0 96 160.173 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4963539 IBM Patent Data

Activity (Go SEA)

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