UCSF

ZINC71529942

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 25 Yes

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) 3.99 6.77 -10.16 1 5 0 59 360.479 5
Hi High (pH 8-9.5) 3.99 6.83 -50.06 0 5 -1 61 359.471 5

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

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