UCSF

ZINC33833740

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 33 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) 4.63 11.97 -61.2 1 5 -1 94 455.615 5
Lo Low (pH 4.5-6) 4.63 9.97 -15.48 2 5 0 92 456.623 5

Activity (Go SEA)

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