UCSF

ZINC55119291

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 25 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) 3.91 9.74 -44.85 2 5 1 56 355.487 9
Hi High (pH 8-9.5) 3.91 8.57 -12.97 1 5 0 51 354.479 9

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

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