UCSF

ZINC42304172

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.19 5.36 -34.93 2 3 1 43 186.275 4
Mid Mid (pH 6-8) 2.19 4.4 -5.77 1 3 0 38 185.267 4

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

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