UCSF

ZINC66190383

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 28 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) 5.79 10.45 -6.74 2 4 0 43 376.5 11
Lo Low (pH 4.5-6) 5.79 11.05 -39.94 3 4 1 47 377.508 11

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

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