UCSF

ZINC51171538

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 20 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) 3.37 8.15 -51.54 2 3 1 37 307.826 3
Hi High (pH 8-9.5) 3.37 6.95 -7.86 1 3 0 32 306.818 3

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

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