UCSF

ZINC05091032

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 29 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) 5.18 -0.94 -12.93 2 6 0 83 414.575 7

Activity (Go SEA)

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