UCSF

ZINC40019339

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 38 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) 6.65 16.19 -73.93 1 6 0 74 524.677 16
Lo Low (pH 4.5-6) 6.65 15.43 -53.41 2 6 1 71 525.685 16

Activity (Go SEA)

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