UCSF

ZINC08060093

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 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) 1.82 5.08 -19.62 0 7 0 89 425.576 5
Lo Low (pH 4.5-6) 1.82 5.2 -49.2 1 7 1 91 426.584 5

Activity (Go SEA)

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