UCSF

ZINC69075407

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 20 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) 3.38 6.76 -9.11 1 3 0 39 269.392 4
Lo Low (pH 4.5-6) 3.38 7.85 -33.27 2 3 1 40 270.4 4
Lo Low (pH 4.5-6) 3.38 7.99 -46.63 2 3 1 44 270.4 4

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

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