UCSF

ZINC49092518

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 20 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) 1.62 -0.05 -12.07 3 7 0 97 277.28 5
Hi High (pH 8-9.5) 1.81 -2.71 -42.89 2 7 -1 103 276.272 5

Activity (Go SEA)

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