UCSF

ZINC67742002

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 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) -0.89 3.97 -67.98 4 9 1 122 374.469 5
Hi High (pH 8-9.5) -0.89 3.28 -18.02 3 9 0 118 373.461 5

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

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