UCSF

ZINC04921562

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 22 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) -1.36 -2.83 -31.76 5 10 0 149 327.322 4
Mid Mid (pH 6-8) -0.63 -3.22 -60.99 4 10 -1 146 326.314 4

Activity (Go SEA)

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