UCSF

ZINC07883482

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2006 24 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) 2.33 4.99 -14.03 2 6 0 80 349.456 8
Hi High (pH 8-9.5) 2.33 4.01 -41.1 1 6 -1 82 348.448 8
Lo Low (pH 4.5-6) 2.33 5.94 -36.2 3 6 1 81 350.464 8

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