UCSF

ZINC12494936

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 27 No

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Annotations

Vendors

    None

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) -5.01 -1.39 -99.91 7 11 1 187 399.453 7
Lo Low (pH 4.5-6) -5.01 -1.14 -141.59 8 11 2 188 400.461 7
Lo Low (pH 4.5-6) -5.01 -5.55 -136.3 8 11 2 188 400.461 7

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