UCSF

ZINC66138905

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 42 No

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) 3.75 14.93 -25.43 1 9 0 105 569.658 12
Lo Low (pH 4.5-6) 3.75 15.93 -58.92 2 9 1 110 570.666 12

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

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