UCSF

ZINC49540814

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 18 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) -0.24 -0.19 -14.59 4 7 0 98 249.274 5
Lo Low (pH 4.5-6) -0.69 -0.82 -43.28 4 7 1 96 250.282 5

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

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