UCSF

ZINC14583403

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2008 37 No

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) 1.02 -0.66 -61.26 5 11 -1 177 511.507 7
Lo Low (pH 4.5-6) 1.02 -0.43 -47.95 6 11 0 179 512.515 7
Lo Low (pH 4.5-6) 1.02 -1.55 -52.93 7 11 1 176 513.523 7

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