UCSF

ZINC04170762

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 29 No

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Annotations

None

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) 4.91 1.11 -6.82 0 4 0 55 413.583 7
Mid Mid (pH 6-8) 4.91 1.02 -9.91 0 4 0 55 413.583 7
Mid Mid (pH 6-8) 5.09 -0.09 -8.11 0 4 0 55 413.583 7

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