UCSF

ZINC49237632

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 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) 1.12 5 -36.06 2 5 1 52 269.365 4
Hi High (pH 8-9.5) 1.12 2.78 -8.73 1 5 0 51 268.357 4

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