UCSF

ZINC35016547

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 22 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) 3.07 7.32 -14.27 2 5 0 63 353.494 4
Hi High (pH 8-9.5) 2.32 6.26 -36.98 1 5 -1 70 352.486 3

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

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