UCSF

ZINC04140129

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 22 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) 3.33 -0.48 -15.63 2 5 0 83 317.728 2
Lo Low (pH 4.5-6) 3.33 -0.31 -43.23 3 5 1 84 318.736 2

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

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