UCSF

ZINC04676362

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2005 28 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) -3.67 -9.84 -74.3 4 13 -1 204 434.432 7
Lo Low (pH 4.5-6) -3.67 -9.84 -89.66 5 13 0 206 435.44 7

Activity (Go SEA)

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