UCSF

ZINC69486158

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 15 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) -3.09 -1.36 -67 5 6 0 117 218.253 5
Hi High (pH 8-9.5) -3.09 -1.07 -58.71 4 6 -1 115 217.245 5

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

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