UCSF

ZINC39762247

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 28 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) 3.37 8.6 -16.86 1 11 0 156 401.36 6
Mid Mid (pH 6-8) 3.43 5.9 -39.65 0 11 -1 162 400.352 6

Activity (Go SEA)

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