UCSF

ZINC20134627

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 33 No

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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) 2.44 10.09 -69.35 1 8 0 104 471.579 10
Hi High (pH 8-9.5) 2.44 7.78 -56.27 0 8 -1 103 470.571 10
Lo Low (pH 4.5-6) 2.44 9.28 -52.63 2 8 1 101 472.587 10

Activity (Go SEA)

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