UCSF

ZINC67116534

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 4.07 10.22 -45.34 1 5 -1 68 385.49 5
Mid Mid (pH 6-8) 5.06 8.6 -119.45 0 5 -2 74 384.482 4
Mid Mid (pH 6-8) 5.02 9.51 -45.95 1 5 -1 74 385.49 4

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

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