UCSF

ZINC01078610

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 17 No

Other Names:

MFCD00056060

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) -0.72 -4.4 -13.5 3 7 0 99 244.247 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0626970A1; US4980460; US5179200; US5204456; WO1994014831A1 IBM Patent Data

Activity (Go SEA)

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