UCSF

ZINC23141952

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 17 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) -0.85 1.54 -42.61 2 8 -1 119 234.195 4
Mid Mid (pH 6-8) -0.85 -0.96 -40.4 2 8 -1 115 234.195 4
Lo Low (pH 4.5-6) -0.67 2.69 -12.01 3 8 0 113 235.203 4
Lo Low (pH 4.5-6) -0.67 2.71 -17.1 3 8 0 113 235.203 4
Lo Low (pH 4.5-6) -0.86 2.18 -12.96 3 8 0 116 235.203 3

Activity (Go SEA)

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