UCSF

ZINC39385470

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 30 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) -1.98 4.2 -75.55 3 10 -1 151 434.45 8
Lo Low (pH 4.5-6) -1.98 4.53 -96.15 4 10 0 153 435.458 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4125611; US4226863; US4298605; US4301161; US4328224; US4341776; US4344944; US4415567 IBM Patent Data

Activity (Go SEA)

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