UCSF

ZINC58288768

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 26 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) 3.45 8 -40.12 2 5 1 52 365.4 8
Hi High (pH 8-9.5) 3.45 5.66 -11.59 1 5 0 51 364.392 8
Hi High (pH 8-9.5) 3.63 4.24 -49.87 0 5 -1 57 363.384 8

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