UCSF

ZINC50047745

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 15 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) 3.40 8.51 -37.53 1 3 1 31 216.345 9
Mid Mid (pH 6-8) 3.40 6.61 -4.62 0 3 0 30 215.337 9

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