UCSF

ZINC61317027

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 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) 0.73 5.06 -41.01 2 4 1 50 248.35 5
Hi High (pH 8-9.5) 0.73 5.32 -6.89 1 4 0 45 247.342 5
Lo Low (pH 4.5-6) 0.73 5.52 -89.52 3 4 2 51 249.358 5

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

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