UCSF

ZINC05294031

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 21 No

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Annotations

Vendors

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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) 2.86 2.49 -14.37 2 5 0 79 304.371 4
Hi High (pH 8-9.5) 2.86 3.26 -58.23 1 5 -1 82 303.363 4
Lo Low (pH 4.5-6) 2.86 2.94 -40.17 3 5 1 80 305.379 4

Activity (Go SEA)

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