UCSF

ZINC02497135

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 19 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) 3.55 11.42 -34.43 1 3 1 28 259.373 7
Mid Mid (pH 6-8) 3.55 10.9 -9.86 0 3 0 27 258.365 7

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

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