UCSF

ZINC40140762

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 35 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) 6.39 11.53 -17.71 2 7 0 93 485.927 6
Hi High (pH 8-9.5) 6.39 12.54 -64.16 1 7 -1 96 484.919 6

Activity (Go SEA)

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