UCSF

ZINC13373392

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 16 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) -4.59 -3.5 -11.32 2 9 0 156 254.087 4
Ref Reference (pH 7) -1.93 -6.93 -238.98 3 9 -3 169 253.079 4
Mid Mid (pH 6-8) -1.93 -8.07 -117.79 4 9 -2 166 254.087 4
Mid Mid (pH 6-8) -1.93 -7.94 -129.07 4 9 -2 166 254.087 4
Lo Low (pH 4.5-6) -4.59 -5.16 -49.16 3 9 0 153 255.095 4
Lo Low (pH 4.5-6) -2.07 -5.2 -122.22 3 9 -2 159 254.087 4
Lo Low (pH 4.5-6) -4.59 -4.65 -54.63 3 9 0 153 255.095 4
Lo Low (pH 4.5-6) -2.07 -5.17 -119.28 3 9 -2 159 254.087 4
Lo Low (pH 4.5-6) -1.93 -9.09 -42.31 5 9 -1 164 255.095 4

Activity (Go SEA)

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