UCSF

ZINC26388842

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 38 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) -5.28 -1.98 -127.96 14 15 1 276 542.662 17
Hi High (pH 8-9.5) -5.28 -1.65 -179.6 15 15 2 278 543.67 17
Hi High (pH 8-9.5) -5.28 -0.91 -168.8 15 15 2 281 543.67 17
Mid Mid (pH 6-8) -5.29 0.39 -231.02 16 15 3 282 544.678 17

Activity (Go SEA)

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