UCSF

ZINC51521389

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 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) 1.41 8.36 -99.03 3 4 2 37 262.401 5
Hi High (pH 8-9.5) 1.41 6.16 -41.47 2 4 1 36 261.393 5
Lo Low (pH 4.5-6) 1.41 8.82 -183.54 4 4 3 38 263.409 5

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