UCSF

ZINC40052236

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 31 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) 2.65 6.12 -65.49 1 7 -1 103 423.489 10
Lo Low (pH 4.5-6) 2.65 5.36 -19.91 2 7 0 100 424.497 10

Activity (Go SEA)

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