UCSF

ZINC44840025

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 24 No

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) 4.09 8.71 -14.71 1 6 0 92 348.424 6
Hi High (pH 8-9.5) 4.09 8.95 -42.35 0 6 -1 94 347.416 6

Activity (Go SEA)

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