UCSF

ZINC59514448

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 24 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.02 2.54 -51.33 1 5 -1 81 374.854 3
Hi High (pH 8-9.5) 5.02 3.32 -89.88 0 5 -2 84 373.846 3
Lo Low (pH 4.5-6) 4.56 4.37 -17.95 2 5 0 78 375.862 3

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

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