UCSF

ZINC40845145

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 22 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) 1.29 2.04 -9.88 7 8 0 145 325.804 4
Hi High (pH 8-9.5) 1.29 2.34 -40.73 6 8 -1 143 324.796 4
Lo Low (pH 4.5-6) 1.42 3.24 -29.38 8 8 1 145 326.812 5

Activity (Go SEA)

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