UCSF

ZINC38907554

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 28 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) 3.08 10.25 -14.61 0 5 0 41 374.488 5
Mid Mid (pH 6-8) 3.08 12.27 -38.55 1 5 1 43 375.496 5
Lo Low (pH 4.5-6) 3.08 13.13 -128.21 2 5 2 44 376.504 5
Lo Low (pH 4.5-6) 3.08 12.44 -53.63 1 5 1 43 375.496 5

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