UCSF

ZINC68949399

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 14 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) -0.45 3.13 -58.59 2 5 0 75 195.222 2
Hi High (pH 8-9.5) -0.45 1.67 -49.41 1 5 -1 70 194.214 2

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

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