UCSF

ZINC39326709

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 37 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) 4.63 6.37 -12.06 2 8 0 99 503.599 7
Lo Low (pH 4.5-6) 4.63 6.73 -49.86 3 8 1 101 504.607 7

Activity (Go SEA)

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