UCSF

ZINC20573411

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 22 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) 2.38 6.4 -62.65 1 5 0 61 322.792 3
Hi High (pH 8-9.5) 2.38 4.03 -39.41 0 5 -1 60 321.784 3
Hi High (pH 8-9.5) 2.38 3 -8.77 1 5 0 57 322.792 3
Mid Mid (pH 6-8) 2.38 5.62 -46.74 2 5 1 58 323.8 3
Mid Mid (pH 6-8) 2.38 6.41 -64.57 1 5 0 61 322.792 3
Mid Mid (pH 6-8) 2.38 5.61 -51.98 2 5 1 58 323.8 3

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

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