UCSF

ZINC40046479

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 26 No

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Annotations

Vendors

    None

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) 1.31 3.03 -62.36 1 7 -1 103 356.354 7
Lo Low (pH 4.5-6) 1.31 2.31 -15.44 2 7 0 100 357.362 7

Activity (Go SEA)

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