UCSF

ZINC38620901

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 26 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) 3.48 10.75 -50.78 0 5 -1 84 363.474 7
Lo Low (pH 4.5-6) 3.48 8.77 -15.39 1 5 0 81 364.482 7

Activity (Go SEA)

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