UCSF

ZINC40099906

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 27 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) 3.10 6.66 -54.56 1 5 -1 81 433.253 5
Lo Low (pH 4.5-6) 3.10 5.9 -10.62 2 5 0 78 434.261 5

Activity (Go SEA)

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