UCSF

ZINC38529032

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 35 Yes

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) 3.25 13.24 -16.13 0 8 0 71 475.593 5
Lo Low (pH 4.5-6) 3.25 13.62 -41.9 1 8 1 72 476.601 5

Activity (Go SEA)

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