UCSF

ZINC19442202

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 18 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) 2.19 7 -57.22 1 5 -1 86 263.66 2
Hi High (pH 8-9.5) 2.65 4.89 -123.14 0 5 -2 89 262.652 2

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

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