UCSF

ZINC41587078

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

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Annotations

None

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) 4.76 8.69 -11.05 0 7 0 70 465.546 5
Mid Mid (pH 6-8) 4.76 11.65 -51.21 1 7 1 72 466.554 5

Activity (Go SEA)

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