UCSF

ZINC59110770

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 35 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) 3.86 10.34 -47.1 1 9 -1 116 512.637 9
Lo Low (pH 4.5-6) 3.86 10.18 -16.96 2 9 0 114 513.645 9

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

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