UCSF

ZINC35266999

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 30 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) 4.22 10.22 -18.37 2 6 0 84 442.972 9
Hi High (pH 8-9.5) 4.41 8.56 -46.96 1 6 -1 90 441.964 9

Activity (Go SEA)

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