UCSF

ZINC51055721

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2010 22 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) 1.58 4.48 -38.04 3 6 1 72 314.45 9
Hi High (pH 8-9.5) 1.58 2.31 -10.91 2 6 0 71 313.442 9

Activity (Go SEA)

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