UCSF

ZINC22053810

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 18 No

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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) 2.60 7.24 -6.87 0 4 0 47 247.294 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0678503A1; EP0678503B1; US5559111; US5627182; US5646143; US5654445; US5705658 IBM Patent Data

Activity (Go SEA)

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