UCSF

ZINC25499864

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 5.16 13.5 -15.67 2 5 0 75 387.483 5
Hi High (pH 8-9.5) 5.62 11.81 -70.04 1 5 -1 78 386.475 5

Activity (Go SEA)

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