UCSF

ZINC43218589

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 33 No

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) -0.30 11.62 -63.42 2 11 0 166 453.407 6
Hi High (pH 8-9.5) -0.30 9.59 -48.75 1 11 -1 162 452.399 6
Mid Mid (pH 6-8) -0.30 10.4 -73.16 1 11 -1 162 452.399 6

Activity (Go SEA)

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