UCSF

ZINC40655719

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 24 No

Download: MOL2 SDF SMILES Flexibase

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) 3.14 9.71 -48.2 2 4 1 57 315.4 1
Mid Mid (pH 6-8) 3.14 8.41 -8.75 1 4 0 52 314.392 1

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

No pre-computed analogs available. Try a structural similarity search.