UCSF

ZINC19814773

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 16 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) -0.47 2.9 -24.78 3 5 0 77 237.284 3
Lo Low (pH 4.5-6) -0.47 3.34 -62.43 4 5 1 78 238.292 3

Activity (Go SEA)

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