UCSF

ZINC38907907

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) 3.47 10.34 -19.57 0 7 0 60 470.573 7
Mid Mid (pH 6-8) 3.47 12.54 -52.78 1 7 1 61 471.581 7
Mid Mid (pH 6-8) 3.47 12.37 -41.69 1 7 1 61 471.581 7
Lo Low (pH 4.5-6) 3.47 13.22 -126.35 2 7 2 62 472.589 7

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