UCSF

ZINC43894059

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 17 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) 1.50 7.02 -117.09 3 3 2 34 235.375 5
Hi High (pH 8-9.5) 1.50 3.62 -3.2 1 3 0 28 233.359 5
Hi High (pH 8-9.5) 1.50 4.75 -39.43 2 3 1 33 234.367 5
Mid Mid (pH 6-8) 1.50 5.9 -37.11 2 3 1 29 234.367 5

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