UCSF

ZINC01023907

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 17 Yes

Other Names:

MFCD02942368

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) 4.89 1.13 -4.44 1 1 0 15 227.351 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3931222 IBM Patent Data

Activity (Go SEA)

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