UCSF

ZINC20120562

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 27 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) 2.92 10.94 -17.59 1 7 0 81 374.429 4
Lo Low (pH 4.5-6) 2.92 11.34 -42.11 2 7 1 82 375.437 4

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

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