UCSF

ZINC40052999

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 38 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) 3.49 8.37 -62.54 1 9 -1 118 524.59 13
Lo Low (pH 4.5-6) 3.49 7.62 -18.96 2 9 0 115 525.598 13

Activity (Go SEA)

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