UCSF

ZINC54772353

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 24 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) 0.67 4.53 -11.97 0 6 0 53 351.834 3
Lo Low (pH 4.5-6) 0.67 6.74 -46.63 1 6 1 54 352.842 3

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

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