UCSF

ZINC25481589

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.09 5.07 -8.1 0 5 0 48 282.727 2
Mid Mid (pH 6-8) 2.09 7.36 -37.83 1 5 1 49 283.735 2

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