UCSF

ZINC71514677

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 21 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) 5.32 8.17 -15.32 1 3 0 46 357.287 3
Mid Mid (pH 6-8) 5.78 6.72 -47.07 0 3 -1 49 356.279 3

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

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