UCSF

ZINC52860510

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 19 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) 1.12 6.61 -38.34 4 5 1 66 283.783 2
Mid Mid (pH 6-8) 1.12 4.6 -3.79 3 5 0 65 282.775 2
Lo Low (pH 4.5-6) 1.12 5.63 -85.93 5 5 2 68 284.791 2

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

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