UCSF

ZINC22931894

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 31 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) 3.75 13.1 -42.41 1 5 1 39 424.609 10
Hi High (pH 8-9.5) 3.75 9.74 -7.58 0 5 0 38 423.601 10
Mid Mid (pH 6-8) 3.75 12.16 -38.83 1 5 1 39 424.609 10
Lo Low (pH 4.5-6) 3.75 12.63 -93.48 2 5 2 40 425.617 10

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

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