UCSF

ZINC22935988

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 25 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) 4.57 9.45 -44.82 2 3 1 29 359.921 8
Mid Mid (pH 6-8) 4.57 10.46 -34.6 2 3 1 26 359.921 8
Lo Low (pH 4.5-6) 4.57 11.77 -117.09 3 3 2 30 360.929 8

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

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