UCSF

ZINC43021387

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 24 No

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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) 4.77 7.06 -29.67 5 4 1 76 330.496 10
Mid Mid (pH 6-8) 4.77 6.92 -42.85 5 4 1 77 330.496 10
Mid Mid (pH 6-8) 4.77 6.6 -8.28 4 4 0 75 329.488 10
Mid Mid (pH 6-8) 4.77 6.66 -5.03 4 4 0 75 329.488 10
Mid Mid (pH 6-8) 4.77 6.91 -41.03 5 4 1 77 330.496 10
Lo Low (pH 4.5-6) 4.77 7.31 -107.33 6 4 2 78 331.504 10
Lo Low (pH 4.5-6) 4.77 7.33 -107.07 6 4 2 78 331.504 10

Activity (Go SEA)

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