UCSF

ZINC40075734

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 24 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) -0.06 2.51 -58.76 1 7 -1 107 327.316 5
Lo Low (pH 4.5-6) -0.06 2.23 -42.49 3 7 1 105 329.332 5
Lo Low (pH 4.5-6) -0.06 1.77 -13.39 2 7 0 104 328.324 5
Lo Low (pH 4.5-6) -0.06 2.97 -67.48 2 7 0 108 328.324 5

Activity (Go SEA)

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