UCSF

ZINC49570866

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.37 3.54 -42.81 3 5 1 63 308.427 3
Hi High (pH 8-9.5) 1.37 1.11 -9.15 2 5 0 61 307.419 3

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

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