UCSF

ZINC69760881

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 No

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) 0.31 1.18 -47.82 3 3 1 40 231.385 2
Hi High (pH 8-9.5) 0.31 0.85 -3.53 2 3 0 38 230.377 2
Lo Low (pH 4.5-6) 0.31 2.86 -123.41 4 3 2 41 232.393 2

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

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