UCSF

ZINC38907747

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 30 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) 4.00 11.2 -14.46 0 5 0 41 402.542 5
Mid Mid (pH 6-8) 4.00 13.23 -38.94 1 5 1 43 403.55 5
Lo Low (pH 4.5-6) 4.00 14.09 -130.21 2 5 2 44 404.558 5
Lo Low (pH 4.5-6) 4.00 13.4 -54.86 1 5 1 43 403.55 5

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