UCSF

ZINC42876243

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 39 No

CAS Numbers: 23214-92-8 , [23214-92-8]

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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) -0.45 -3.91 -59.24 9 13 1 228 546.505 5
Hi High (pH 8-9.5) -0.45 -3.88 -22.72 8 13 0 226 545.497 5

Activity (Go SEA)

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