UCSF

ZINC39284761

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 16 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) 3.47 6.25 -4.06 2 2 0 39 234.368 1
Lo Low (pH 4.5-6) 3.47 6.64 -27.54 3 2 1 40 235.376 1

Activity (Go SEA)

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