UCSF

ZINC49544751

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.33 5.27 -25.09 2 4 0 58 319.455 6
Hi High (pH 8-9.5) 3.78 3.2 -49.45 1 4 -1 61 318.447 6
Mid Mid (pH 6-8) 3.33 6.7 -54.58 3 4 1 62 320.463 6
Mid Mid (pH 6-8) 3.78 4.58 -44.38 2 4 0 65 319.455 6

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

No pre-computed analogs available. Try a structural similarity search.