UCSF

ZINC39530219

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 22 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) 3.98 9.05 -10.93 1 4 0 59 316.426 7
Hi High (pH 8-9.5) 4.16 7.58 -35.54 0 4 -1 65 315.418 7

Activity (Go SEA)

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