UCSF

ZINC41542873

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 34 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) 3.37 10.55 -71.76 1 7 0 83 468.525 9
Lo Low (pH 4.5-6) 3.37 9.8 -56.11 2 7 1 81 469.533 9

Activity (Go SEA)

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