UCSF

ZINC39490961

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2010 36 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) 5.01 13.92 -46.21 2 7 1 75 485.608 9
Hi High (pH 8-9.5) 5.01 11.72 -18.7 1 7 0 74 484.6 9

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

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