UCSF

ZINC39748766

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 29 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) 2.08 6.79 -16.32 2 8 0 101 452.993 6
Lo Low (pH 4.5-6) 2.08 7.93 -39.05 3 8 1 103 454.001 6

Activity (Go SEA)

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