UCSF

ZINC03646576

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 11 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) -0.87 0.83 -218.65 0 6 -3 113 177.028 3
Mid Mid (pH 6-8) -0.87 -0.32 -110.56 1 6 -2 110 178.036 3

Activity (Go SEA)

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