UCSF

ZINC36470917

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 31 No

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Annotations

Vendors

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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) -0.43 -2.2 -66.03 7 9 0 169 452.891 2
Mid Mid (pH 6-8) -0.43 -4.13 -58.57 6 9 -1 167 451.883 2
Lo Low (pH 4.5-6) -0.43 -4.52 -64.36 8 9 1 166 453.899 2

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