UCSF

ZINC35752550

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 30 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) 2.76 9.76 -50.94 3 6 1 71 410.538 12
Hi High (pH 8-9.5) 2.76 8.41 -14.54 2 6 0 67 409.53 12

Activity (Go SEA)

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