UCSF

ZINC55068217

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 20 Yes

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) 2.11 4.91 -36.8 2 4 1 45 277.388 5
Hi High (pH 8-9.5) 2.11 3.73 -42.47 0 4 -1 47 275.372 5
Mid Mid (pH 6-8) 2.11 2.96 -7.9 1 4 0 44 276.38 5

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

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