UCSF

ZINC39567329

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 25 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) 5.09 13.32 -37.15 1 4 1 35 414.407 6
Mid Mid (pH 6-8) 5.09 11.3 -6.97 0 4 0 34 413.399 6

Activity (Go SEA)

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