UCSF

ZINC40068343

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 23 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) -0.29 2.44 -58.62 1 7 -1 107 313.289 5
Lo Low (pH 4.5-6) -0.29 2.01 -47.79 3 7 1 105 315.305 5
Lo Low (pH 4.5-6) -0.29 1.55 -13.81 2 7 0 104 314.297 5
Lo Low (pH 4.5-6) -0.29 2.91 -73.95 2 7 0 108 314.297 5

Activity (Go SEA)

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