UCSF

ZINC40081811

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) 5.43 12.11 -55.23 0 5 -1 70 471.371 8
Lo Low (pH 4.5-6) 5.43 11.22 -10.46 1 5 0 67 472.379 8

Activity (Go SEA)

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