UCSF

ZINC64549413

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 32 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) -0.10 9.1 -60.54 2 10 -1 135 450.422 7
Lo Low (pH 4.5-6) -0.10 7.09 -14.64 3 10 0 132 451.43 7

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

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