UCSF

ZINC42554852

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 19 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
Hi High (pH 8-9.5) 2.49 3.79 -43.25 3 3 1 34 268.469 7
Hi High (pH 8-9.5) 2.49 5.95 -33.13 3 3 1 34 268.469 7
Mid Mid (pH 6-8) 2.48 6.37 -93.59 4 3 2 35 269.477 7
Mid Mid (pH 6-8) 2.48 3.15 -117.95 4 3 2 35 269.477 7
Mid Mid (pH 6-8) 2.48 6.2 -110.21 4 3 2 35 269.477 7
Lo Low (pH 4.5-6) 2.48 6.71 -216.58 5 3 3 37 270.485 7

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