UCSF

ZINC62789020

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 19 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) 0.45 6.14 -86.77 5 5 2 74 277.759 2
Hi High (pH 8-9.5) 0.45 6.75 -8.6 3 5 0 71 275.743 2
Mid Mid (pH 6-8) 0.45 7.22 -26.86 4 5 1 72 276.751 2

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

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