UCSF

ZINC38735851

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 24 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) 1.78 3.11 -52.53 1 7 -1 96 338.372 3
Lo Low (pH 4.5-6) 1.32 5.39 -37.19 3 7 1 94 340.388 3
Lo Low (pH 4.5-6) 1.78 3.55 -60.29 2 7 0 97 339.38 3

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

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