UCSF

ZINC07708178

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2006 24 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) 3.08 -2.26 -14.24 1 8 0 110 352.368 7
Hi High (pH 8-9.5) 3.08 -1.68 -44.93 0 8 -1 112 351.36 7

Activity (Go SEA)

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