UCSF

ZINC55090701

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 22 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) 1.98 6.32 -7.51 0 5 0 42 326.824 6
Lo Low (pH 4.5-6) 1.98 8.51 -37.61 1 5 1 43 327.832 6

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

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