UCSF

ZINC60018014

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 15 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) -1.53 0.22 -119.44 0 7 -2 110 213.145 3
Lo Low (pH 4.5-6) -1.53 -1.45 -46.79 1 7 -1 107 214.153 3

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

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