UCSF

ZINC67458176

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 27 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) 3.47 10.82 -30.4 1 4 1 30 369.529 6
Hi High (pH 8-9.5) 3.47 8.82 -6.22 0 4 0 29 368.521 6
Mid Mid (pH 6-8) 3.47 10.94 -37.26 1 4 1 30 369.529 6

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

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