UCSF

ZINC40101581

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 30 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) 5.49 11.33 -57.7 0 5 -1 70 471.371 9
Lo Low (pH 4.5-6) 5.49 10.57 -11.8 1 5 0 67 472.379 9

Activity (Go SEA)

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