UCSF

ZINC61454039

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 17 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) 0.73 4.14 -9.28 2 4 0 59 233.315 3
Lo Low (pH 4.5-6) 0.73 4.55 -33.67 3 4 1 60 234.323 3

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

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