UCSF

ZINC52837931

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 19 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) 2.90 5.97 -7.39 2 4 0 61 269.226 3
Lo Low (pH 4.5-6) 2.90 6.35 -30.88 3 4 1 62 270.234 3
Lo Low (pH 4.5-6) 2.90 6.4 -32.88 3 4 1 62 270.234 3

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

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