UCSF

ZINC25499721

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 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) 3.95 9.91 -63.37 3 11 -1 173 425.377 7
Hi High (pH 8-9.5) 4.41 8.31 -117.36 2 11 -2 176 424.369 7

Activity (Go SEA)

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