UCSF

ZINC47629000

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2010 17 No

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Annotations

Vendors

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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) 0.42 2.02 -42.75 4 5 1 77 242.343 5
Hi High (pH 8-9.5) 0.42 -0.25 -12.66 3 5 0 75 241.335 5

Activity (Go SEA)

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