UCSF

ZINC40138534

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 33 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) 5.95 10.66 -18.21 2 7 0 93 463.921 7
Hi High (pH 8-9.5) 5.95 11.66 -65.52 1 7 -1 96 462.913 7

Activity (Go SEA)

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