UCSF

ZINC24990927

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 34 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) -0.70 2.09 -59.85 6 14 -1 221 493.393 9
Lo Low (pH 4.5-6) -0.70 2.41 -65.04 7 14 0 223 494.401 9

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

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