UCSF

ZINC67963349

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 29 Yes

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) 4.30 12.32 -42.14 4 6 1 77 388.426 4
Mid Mid (pH 6-8) 4.17 11.87 -18.83 3 6 0 77 387.418 4
Mid Mid (pH 6-8) 4.17 12.37 -40.2 4 6 1 79 388.426 4

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

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