UCSF

ZINC05080466

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 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) -0.74 3.35 -25.51 4 9 0 120 339.377 1
Hi High (pH 8-9.5) -0.01 2.93 -56.34 3 9 -1 118 338.369 1

Activity (Go SEA)

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