UCSF

ZINC01639391

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 Yes

Other Names:

MFCD08276803

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) -2.51 1.76 -23.72 0 2 1 6 155.265 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0721953A1; US5728839; WO2000078826A1 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.