UCSF

ZINC69976266

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 17 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) 1.24 2.71 -36.13 1 5 1 43 277.801 4
Hi High (pH 8-9.5) 1.24 0.25 -4.94 0 5 0 41 276.793 4

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

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