UCSF

ZINC62976059

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 18 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) 1.63 6.78 -35.9 3 4 1 47 247.366 2
Hi High (pH 8-9.5) 1.63 4.6 -5.29 2 4 0 45 246.358 2
Mid Mid (pH 6-8) 1.63 7.24 -81.83 4 4 2 48 248.374 2

Activity (Go SEA)

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