UCSF

ZINC65520592

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 23 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) -1.25 1.09 -39.09 1 8 1 82 317.373 3
Mid Mid (pH 6-8) -1.25 2.99 -49.82 1 8 1 82 317.373 3
Mid Mid (pH 6-8) -1.25 0.68 -11.25 0 8 0 80 316.365 3
Mid Mid (pH 6-8) -1.25 3.41 -111.46 2 8 2 83 318.381 3

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

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