UCSF

ZINC33358935

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2009 35 No

Other Names:

MFCD07369674

N/A

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) 5.21 13.47 -16.18 1 8 0 108 476.481 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0642526A1; EP0642526B1 IBM Patent Data

Activity (Go SEA)

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

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