UCSF

ZINC66200355

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 33 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) 2.52 2.89 -56.85 1 10 -1 131 471.515 11
Lo Low (pH 4.5-6) 2.52 3.39 -18.99 2 10 0 129 472.523 11

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

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