UCSF

ZINC40075850

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 28 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) 3.68 9.54 -60.39 0 6 -1 83 382.436 8
Mid Mid (pH 6-8) 3.68 8.79 -11.63 1 6 0 80 383.444 8

Activity (Go SEA)

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