UCSF

ZINC44418292

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 21 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) 7.59 13.89 -5.36 0 2 0 26 290.447 13

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0253666A2; EP0275203A2; US3948663; US4771034; US4839332; US4871713; US4918047 IBM Patent Data

Activity (Go SEA)

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