UCSF

ZINC71555770

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 26 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) 1.85 6.93 -42.88 2 7 1 67 371.49 4
Mid Mid (pH 6-8) 1.85 4.36 -11.74 1 7 0 66 370.482 4
Mid Mid (pH 6-8) 1.85 9.66 -85.36 3 7 2 68 372.498 4

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

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