UCSF

ZINC51169506

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 17 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) 3.55 5.97 -24.49 4 3 1 52 269.155 1
Hi High (pH 8-9.5) 3.73 5.98 -22.67 4 3 1 56 269.155 0
Hi High (pH 8-9.5) 3.55 5.59 -4.68 3 3 0 51 268.147 1

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

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