UCSF

ZINC69739609

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 23 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) 2.04 5.94 -8.59 2 5 0 75 314.385 5
Hi High (pH 8-9.5) 2.22 5.13 -49.29 1 5 -1 82 313.377 5

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

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