UCSF

ZINC20264032

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 3.17 7.64 -58.71 0 7 -1 82 449.527 9
Mid Mid (pH 6-8) 3.17 10 -68.18 1 7 0 83 450.535 9
Lo Low (pH 4.5-6) 3.17 9.17 -50.11 2 7 1 81 451.543 9

Activity (Go SEA)

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