UCSF

ZINC12502214

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 20 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) -4.61 -5.77 -305.65 3 12 -4 223 336.082 9
Mid Mid (pH 6-8) -4.61 -6.92 -197.9 4 12 -3 220 337.09 9
Lo Low (pH 4.5-6) -4.61 -8.08 -98.5 5 12 -2 217 338.098 9

Activity (Go SEA)

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