UCSF

ZINC36638011

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 33 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) 6.27 13.6 -60.27 1 6 1 56 470.659 13
Hi High (pH 8-9.5) 6.27 11.51 -20.82 0 6 0 55 469.651 13

Activity (Go SEA)

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