UCSF

ZINC42395015

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 14 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) 2.21 7.22 -37.48 2 1 1 17 194.273 5
Hi High (pH 8-9.5) 2.21 6.17 -2.74 1 1 0 12 193.265 5

Activity (Go SEA)

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