UCSF

ZINC58000211

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 19 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) 1.80 3.97 -6.99 2 3 0 45 276.767 5
Lo Low (pH 4.5-6) 1.80 5.34 -51.55 3 3 1 50 277.775 5
Lo Low (pH 4.5-6) 1.80 4.4 -32.04 3 3 1 46 277.775 5

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

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