UCSF

ZINC22753691

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 34 No

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) 3.68 9.41 -27.54 2 8 0 108 494.598 8
Hi High (pH 8-9.5) 3.87 7.7 -110.36 0 8 -2 116 492.582 8
Mid Mid (pH 6-8) 3.68 9.45 -66.71 1 8 -1 110 493.59 8
Mid Mid (pH 6-8) 3.87 7.67 -47.34 1 8 -1 114 493.59 8

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

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