UCSF

ZINC33933486

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 31 No

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Annotations

Vendors

    None

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) -0.72 7.76 -41.24 3 8 0 124 424.453 6
Hi High (pH 8-9.5) -0.72 7.17 -45.12 2 8 -1 119 423.445 6

Activity (Go SEA)

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