UCSF

ZINC38907892

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 35 Yes

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Vendors

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) 4.59 12.63 -15.92 0 6 0 51 468.601 8
Mid Mid (pH 6-8) 4.59 14.65 -40.14 1 6 1 52 469.609 8
Lo Low (pH 4.5-6) 4.59 15.51 -130.78 2 6 2 53 470.617 8
Lo Low (pH 4.5-6) 4.59 14.83 -56.25 1 6 1 52 469.609 8

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