UCSF

ZINC49543216

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 33 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) 3.35 7.27 -71.58 1 9 -1 122 449.439 7
Ref Reference (pH 7) 3.16 9.91 -64.39 1 9 -1 119 449.439 7
Lo Low (pH 4.5-6) 3.35 8.34 -52.99 2 9 0 124 450.447 7

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

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