UCSF

ZINC25497367

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 27 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) 4.69 11.61 -13.42 2 5 0 71 376.847 4
Hi High (pH 8-9.5) 5.14 10.12 -53.44 1 5 -1 74 375.839 4
Lo Low (pH 4.5-6) 4.69 12.12 -43.63 3 5 1 72 377.855 4

Activity (Go SEA)

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