UCSF

ZINC39326833

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 28 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) 3.51 6.77 -9.43 3 4 0 71 377.394 2
Lo Low (pH 4.5-6) 3.51 8.17 -54.24 4 4 1 76 378.402 2

Activity (Go SEA)

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