UCSF

ZINC37051965

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 0.46 4.86 -6.77 2 3 0 46 236.29 3
Mid Mid (pH 6-8) 0.46 5.16 -45.61 3 3 1 48 237.298 3

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