UCSF

ZINC35164425

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 35 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) 5.61 13.83 -73.15 1 6 0 74 478.633 14
Lo Low (pH 4.5-6) 5.61 13.02 -46.89 2 6 1 71 479.641 14

Activity (Go SEA)

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