UCSF

ZINC28048529

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 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) 1.70 1.86 -13.72 2 4 0 62 252.273 1
Mid Mid (pH 6-8) 1.70 2.67 -34.16 3 4 1 63 253.281 1

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