UCSF

ZINC39264745

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 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) 5.94 13.54 -13.71 3 6 0 79 401.514 6
Lo Low (pH 4.5-6) 5.94 13.93 -38.05 4 6 1 80 402.522 6

Activity (Go SEA)

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