UCSF

ZINC16573641

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 32 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) 3.01 9.4 -13.85 1 9 0 115 429.436 7
Lo Low (pH 4.5-6) 3.01 9.67 -50.05 2 9 1 116 430.444 7

Activity (Go SEA)

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