UCSF

ZINC71502775

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 4.31 12.37 -45.64 1 4 1 31 358.893 8
Mid Mid (pH 6-8) 4.31 10.39 -29.07 1 4 1 32 358.893 8
Mid Mid (pH 6-8) 4.31 9.92 -9.57 0 4 0 30 357.885 8

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

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