UCSF

ZINC42742303

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.80 5.05 -121.66 4 4 2 51 296.455 7
Hi High (pH 8-9.5) 2.80 4.38 -43.57 3 4 1 49 295.447 7
Hi High (pH 8-9.5) 2.80 4.69 -31.14 3 4 1 49 295.447 7

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