UCSF

ZINC42945157

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.58 6.92 -115.55 4 2 2 32 270.848 6
Hi High (pH 8-9.5) 3.58 6.6 -34.41 3 2 1 30 269.84 6
Hi High (pH 8-9.5) 3.58 5.03 -42.83 3 2 1 31 269.84 6

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