UCSF

ZINC40075881

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 26 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) 4.06 9.44 -58.05 0 5 -1 74 417.279 6
Lo Low (pH 4.5-6) 4.06 8.54 -10.03 1 5 0 71 418.287 6

Activity (Go SEA)

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