UCSF

ZINC49112894

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 33 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) -0.34 -1.7 -63.53 6 10 1 141 459.523 5
Hi High (pH 8-9.5) -0.34 -3.75 -17.51 5 10 0 140 458.515 5

Activity (Go SEA)

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