UCSF

ZINC71514671

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 20 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) 4.71 7.75 -15.14 1 3 0 46 322.842 3
Mid Mid (pH 6-8) 5.17 6.3 -46.17 0 3 -1 49 321.834 3

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

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