UCSF

ZINC26393624

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 44 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
Hi High (pH 8-9.5) -5.66 -5.4 -118.04 18 19 1 358 627.728 20
Hi High (pH 8-9.5) -5.66 -5.07 -184.52 19 19 2 359 628.736 20
Hi High (pH 8-9.5) -5.66 -4.22 -164 19 19 2 362 628.736 20
Mid Mid (pH 6-8) -5.66 -2.97 -234.14 20 19 3 364 629.744 20

Activity (Go SEA)

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