UCSF

ZINC19668756

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 21 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) 2.33 3.71 -40.79 3 4 1 49 293.431 6
Hi High (pH 8-9.5) 2.33 2.35 -5.39 2 4 0 45 292.423 6
Lo Low (pH 4.5-6) 2.33 6.31 -124.46 4 4 2 51 294.439 6

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