UCSF

ZINC40125981

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 34 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) 5.06 9.44 -58.92 1 7 -1 97 466.554 13
Lo Low (pH 4.5-6) 5.06 8.67 -17.5 2 7 0 94 467.562 13

Activity (Go SEA)

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