UCSF

ZINC58559041

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 37 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) 5.39 8.12 -50.85 3 10 0 131 495.543 6
Mid Mid (pH 6-8) 5.39 7.68 -63.96 2 10 -1 130 494.535 6

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

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