UCSF

ZINC48583911

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 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) 2.55 5.87 -8.69 1 4 0 49 259.353 5
Mid Mid (pH 6-8) 3.00 5.38 -44.33 1 4 0 53 259.353 5

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