UCSF

ZINC05856828

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 22 No

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Annotations

None

Vendors

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) 3.64 8.3 -8.82 1 3 0 42 294.398 5
Lo Low (pH 4.5-6) 3.64 8.77 -40.01 2 3 1 43 295.406 5

Activity (Go SEA)

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