UCSF

ZINC20106686

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 29 Yes

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Annotations

Vendors

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) 4.47 7.59 -50.68 1 5 -1 77 431.896 6
Mid Mid (pH 6-8) 4.47 7.54 -18.59 2 5 0 75 432.904 6

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