UCSF

ZINC75874857

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2012 20 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) 0.37 2.6 -98.15 5 6 2 77 277.372 3
Hi High (pH 8-9.5) 0.37 2.35 -58.14 4 6 1 75 276.364 4
Hi High (pH 8-9.5) 0.37 1.27 -27.4 4 6 1 72 276.364 3
Mid Mid (pH 6-8) 0.37 3.06 -174.65 6 6 3 78 278.38 3

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

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