UCSF

ZINC05138895

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 13 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) 3.45 -0.45 -4.52 0 0 0 0 230.423 4
Hi High (pH 8-9.5) 3.45 -1.41 -40.79 0 0 -1 0 229.415 4
Hi High (pH 8-9.5) 3.45 -1.41 -41.83 0 0 -1 0 229.415 4
Hi High (pH 8-9.5) 3.45 -2.37 -122.11 0 0 -2 0 228.407 4

Activity (Go SEA)

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