UCSF

ZINC19996025

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 31 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) 3.54 6.72 -27.07 2 8 0 110 471.589 6
Mid Mid (pH 6-8) 4.00 5.48 -55.94 1 8 -1 113 470.581 6

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

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