UCSF

ZINC58547655

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 44 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) 6.19 8.3 -10.64 2 8 0 84 594.708 2
Mid Mid (pH 6-8) 6.19 10.86 -49.73 3 8 1 85 595.716 2
Lo Low (pH 4.5-6) 6.19 13.02 -93.36 4 8 2 86 596.724 2

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