UCSF

ZINC55104091

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 23 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) 2.48 5.28 -16.56 2 6 0 84 313.357 2
Mid Mid (pH 6-8) 2.48 6.27 -62.9 1 6 -1 87 312.349 2
Lo Low (pH 4.5-6) 2.48 5.61 -37.61 3 6 1 85 314.365 2

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

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