UCSF

ZINC65519979

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) -0.49 3.8 -12.34 0 8 0 71 347.419 3
Mid Mid (pH 6-8) -0.49 5.99 -50.91 1 8 1 72 348.427 3
Mid Mid (pH 6-8) -0.49 4.22 -38.05 1 8 1 72 348.427 3
Mid Mid (pH 6-8) -0.49 6.41 -111.51 2 8 2 73 349.435 3

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

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