UCSF

ZINC60210783

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 34 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) 4.27 11.43 -16.39 0 8 0 101 481.526 6
Mid Mid (pH 6-8) 4.85 10.76 -64.6 0 8 -1 106 480.518 6
Mid Mid (pH 6-8) 4.45 10.05 -14.74 0 8 0 101 481.526 6
Mid Mid (pH 6-8) 4.43 11.29 -14.47 0 8 0 101 481.526 6

Activity (Go SEA)

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