UCSF

ZINC38907749

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 31 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) 4.50 11.92 -14.07 0 5 0 41 416.569 5
Mid Mid (pH 6-8) 4.50 13.94 -38.67 1 5 1 43 417.577 5
Lo Low (pH 4.5-6) 4.50 14.67 -131.49 2 5 2 44 418.585 5
Lo Low (pH 4.5-6) 4.50 14.13 -54.55 1 5 1 43 417.577 5

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