UCSF

ZINC39988437

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 29 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) -0.64 2.9 -44.83 3 8 1 94 411.519 3
Mid Mid (pH 6-8) -0.64 2.56 -11.78 2 8 0 93 410.511 3

Activity (Go SEA)

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