UCSF

ZINC40019343

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 39 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) 7.40 17.56 -74.51 1 6 0 74 534.741 17
Lo Low (pH 4.5-6) 7.40 16.8 -50.57 2 6 1 71 535.749 17

Activity (Go SEA)

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